Showing NP-Card for Dihydroniphimycin (NP0003410)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 00:40:31 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:46:21 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0003410 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Dihydroniphimycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Dihydroniphimycin is found in Streptomyces hygroscopicus and Streptomyces hygroscopicus 15. It was first documented in 2000 (PMID: 10966080). Based on a literature review very few articles have been published on 3-oxo-3-{[(10Z,12Z)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[(8E)-4-methyl-12-(N'-methylcarbamimidamido)dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]Heptatriaconta-10,12-dien-3-yl]oxy}propanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0003410 (Dihydroniphimycin)Mrv1652307012117093D 185186 0 0 0 0 999 V2000 17.3840 2.0145 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9882 1.6935 -0.7184 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5870 0.4951 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5290 -0.5506 -0.9924 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2067 0.1578 -0.7529 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2892 1.1648 -0.2875 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8554 0.7112 -0.2849 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6713 -0.5087 0.6264 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2264 -0.9239 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5133 -0.9308 1.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0582 -1.3423 1.7111 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2217 -0.1693 2.2044 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4005 1.0343 1.3408 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9898 0.8003 -0.1179 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2892 2.1591 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 0.4867 -0.0994 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8920 0.1874 -1.4198 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9619 1.2496 -2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -0.3112 -1.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6335 0.6926 -0.4073 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5934 2.0313 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 3.1073 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 3.2690 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 2.9748 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 3.1584 0.7402 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4782 4.1905 -0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 3.4158 1.6306 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5925 3.7703 3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 4.6424 1.0273 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4753 5.2329 1.9525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 4.2545 -0.2015 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8480 3.9694 0.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1534 2.6823 -0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 5.0093 -0.4434 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8881 5.3399 0.4419 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7101 6.3460 -0.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9291 7.5614 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 7.7314 1.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8172 8.5579 -0.0262 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9330 9.7590 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3216 9.7896 1.9186 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7165 10.8592 0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6903 4.1238 0.8371 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4716 3.5383 -0.3403 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8910 4.0081 -0.3368 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8819 3.0894 0.2818 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9401 3.1378 1.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5200 1.6770 -0.2194 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4413 1.8832 -1.6218 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1459 1.4165 0.3234 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0756 2.0285 1.6033 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7492 0.0213 0.4999 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1482 -0.9814 -0.4881 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2553 -0.7067 -1.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4173 -2.3476 0.1637 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2373 -3.1422 -0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1768 -3.0460 0.5936 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8176 -4.2574 -0.2125 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5103 -5.4589 0.6675 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6646 -6.1889 0.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4546 -6.3089 0.0017 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2529 -7.6224 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1826 -5.4960 -0.0730 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8504 -5.2900 -1.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 -6.1634 0.5688 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8969 -5.7669 2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 -5.6251 -0.1151 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8083 -6.0353 -1.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4986 -6.0703 0.5834 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0760 -7.3816 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5998 -5.0437 0.5595 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1552 -4.8318 -0.8248 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1213 -3.6713 -0.8778 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3307 -4.1507 -0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 -3.1769 -2.2805 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6088 -3.4947 -2.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 -1.7387 -2.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 -1.5117 -2.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8115 -0.7766 -2.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2795 2.1877 -0.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8695 1.7473 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5354 3.1001 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8506 1.3782 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3423 -0.6503 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4391 -1.2398 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8312 -0.7602 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3736 2.0422 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5308 1.4523 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1680 1.4936 0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 0.3893 -1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0004 -0.2439 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2970 -1.3385 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7828 -1.2183 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0022 -0.6327 2.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7533 -1.7108 0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9392 -2.1635 2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.0994 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 -0.4298 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 1.3524 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7995 1.8526 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5404 -0.0231 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 2.0943 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5873 2.9322 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2909 2.5038 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4282 -0.4751 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 1.2240 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 -0.7334 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 1.2550 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 1.0264 -3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 2.2815 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 -1.1701 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 0.3028 -0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9024 0.7198 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 2.1725 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 3.8688 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 3.6497 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 2.5990 2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1057 2.2192 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 3.8677 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6819 2.5954 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 4.4151 3.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 2.8980 3.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 4.3976 3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 5.3865 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 6.1958 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 5.0797 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 3.3846 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9675 3.9792 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 2.0310 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0254 4.5973 -1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 5.9352 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4576 5.7130 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8546 8.1359 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4948 8.8213 -1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0041 11.5234 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0542 3.3722 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4096 4.4823 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 4.0147 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2318 4.2252 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9387 4.9792 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8888 3.3044 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3816 2.3107 1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2792 0.9527 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5068 1.8717 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4008 1.5737 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0865 -0.3329 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 -0.0023 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3037 -1.1986 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1554 -0.9254 -2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1072 -2.1283 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7508 -3.1628 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5440 -4.1125 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1787 -2.5385 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2953 -2.3502 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3481 -3.4122 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6162 -4.5839 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -4.0313 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1068 -5.1143 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2827 -6.2525 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 -6.5318 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6472 -7.5668 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8645 -8.3866 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2573 -8.0104 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3064 -4.4964 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 -5.8967 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -7.2604 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 -4.9402 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8557 -5.3907 2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 -6.6337 2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -4.5184 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 -6.9521 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -6.3001 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 -8.1562 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 -7.6859 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 -7.3703 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4179 -5.4237 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 -4.0959 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 -4.6532 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -5.7745 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -2.8233 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4066 -4.1267 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -3.8196 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 -2.7009 -2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 -3.4943 -3.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9749 -4.4454 -2.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 1 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 77 78 2 0 0 0 0 77 79 1 0 0 0 0 50 80 1 0 0 0 0 79 19 1 0 0 0 0 80 44 1 0 0 0 0 1 81 1 0 0 0 0 1 82 1 0 0 0 0 1 83 1 0 0 0 0 4 84 1 0 0 0 0 4 85 1 0 0 0 0 5 86 1 0 0 0 0 6 87 1 0 0 0 0 6 88 1 0 0 0 0 7 89 1 0 0 0 0 7 90 1 0 0 0 0 8 91 1 0 0 0 0 8 92 1 0 0 0 0 9 93 1 0 0 0 0 10 94 1 0 0 0 0 11 95 1 0 0 0 0 11 96 1 0 0 0 0 12 97 1 0 0 0 0 12 98 1 0 0 0 0 13 99 1 0 0 0 0 13100 1 0 0 0 0 14101 1 6 0 0 0 15102 1 0 0 0 0 15103 1 0 0 0 0 15104 1 0 0 0 0 16105 1 0 0 0 0 16106 1 0 0 0 0 17107 1 6 0 0 0 18108 1 0 0 0 0 18109 1 0 0 0 0 18110 1 0 0 0 0 19111 1 1 0 0 0 20112 1 0 0 0 0 20113 1 0 0 0 0 21114 1 0 0 0 0 22115 1 0 0 0 0 23116 1 0 0 0 0 24117 1 0 0 0 0 25118 1 6 0 0 0 26119 1 0 0 0 0 27120 1 1 0 0 0 28121 1 0 0 0 0 28122 1 0 0 0 0 28123 1 0 0 0 0 29124 1 6 0 0 0 30125 1 0 0 0 0 31126 1 0 0 0 0 31127 1 0 0 0 0 32128 1 1 0 0 0 33129 1 0 0 0 0 34130 1 0 0 0 0 34131 1 0 0 0 0 35132 1 1 0 0 0 39133 1 0 0 0 0 39134 1 0 0 0 0 42135 1 0 0 0 0 43136 1 0 0 0 0 43137 1 0 0 0 0 44138 1 6 0 0 0 45139 1 0 0 0 0 45140 1 0 0 0 0 46141 1 6 0 0 0 47142 1 0 0 0 0 48143 1 6 0 0 0 49144 1 0 0 0 0 51145 1 0 0 0 0 52146 1 0 0 0 0 52147 1 0 0 0 0 53148 1 6 0 0 0 54149 1 0 0 0 0 55150 1 1 0 0 0 56151 1 0 0 0 0 56152 1 0 0 0 0 56153 1 0 0 0 0 57154 1 0 0 0 0 57155 1 0 0 0 0 58156 1 0 0 0 0 58157 1 0 0 0 0 59158 1 1 0 0 0 60159 1 0 0 0 0 61160 1 6 0 0 0 62161 1 0 0 0 0 62162 1 0 0 0 0 62163 1 0 0 0 0 63164 1 1 0 0 0 64165 1 0 0 0 0 65166 1 1 0 0 0 66167 1 0 0 0 0 66168 1 0 0 0 0 66169 1 0 0 0 0 67170 1 6 0 0 0 68171 1 0 0 0 0 69172 1 1 0 0 0 70173 1 0 0 0 0 70174 1 0 0 0 0 70175 1 0 0 0 0 71176 1 0 0 0 0 71177 1 0 0 0 0 72178 1 0 0 0 0 72179 1 0 0 0 0 73180 1 1 0 0 0 74181 1 0 0 0 0 75182 1 6 0 0 0 76183 1 0 0 0 0 76184 1 0 0 0 0 76185 1 0 0 0 0 M END 3D MOL for NP0003410 (Dihydroniphimycin)RDKit 3D 185186 0 0 0 0 0 0 0 0999 V2000 17.3840 2.0145 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9882 1.6935 -0.7184 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5870 0.4951 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5290 -0.5506 -0.9924 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2067 0.1578 -0.7529 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2892 1.1648 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.7112 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6713 -0.5087 0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2264 -0.9239 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5133 -0.9308 1.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0582 -1.3423 1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 -0.1693 2.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 1.0343 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9898 0.8003 -0.1179 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2892 2.1591 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 0.4867 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 0.1874 -1.4198 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9619 1.2496 -2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -0.3112 -1.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6335 0.6926 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 2.0313 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 3.1073 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 3.2690 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 2.9748 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 3.1584 0.7402 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4782 4.1905 -0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 3.4158 1.6306 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5925 3.7703 3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 4.6424 1.0273 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4753 5.2329 1.9525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 4.2545 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 3.9694 0.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1534 2.6823 -0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 5.0093 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 5.3399 0.4419 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7101 6.3460 -0.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9291 7.5614 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 7.7314 1.6814 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8172 8.5579 -0.0262 C 0 0 0 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NP0003410 (Dihydroniphimycin)Mrv1652307012117093D 185186 0 0 0 0 999 V2000 17.3840 2.0145 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9882 1.6935 -0.7184 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5870 0.4951 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5290 -0.5506 -0.9924 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2067 0.1578 -0.7529 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2892 1.1648 -0.2875 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8554 0.7112 -0.2849 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6713 -0.5087 0.6264 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2264 -0.9239 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5133 -0.9308 1.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0582 -1.3423 1.7111 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2217 -0.1693 2.2044 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4005 1.0343 1.3408 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9898 0.8003 -0.1179 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2892 2.1591 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 0.4867 -0.0994 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8920 0.1874 -1.4198 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9619 1.2496 -2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -0.3112 -1.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 17.5354 3.1001 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8506 1.3782 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3423 -0.6503 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4391 -1.2398 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8312 -0.7602 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3736 2.0422 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5308 1.4523 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1680 1.4936 0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 0.3893 -1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0004 -0.2439 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2970 -1.3385 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7828 -1.2183 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0022 -0.6327 2.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7533 -1.7108 0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9392 -2.1635 2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.0994 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 -0.4298 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 1.3524 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7995 1.8526 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5404 -0.0231 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 2.0943 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5873 2.9322 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2909 2.5038 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4282 -0.4751 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 1.2240 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 -0.7334 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 1.2550 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 1.0264 -3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 2.2815 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 -1.1701 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 0.3028 -0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9024 0.7198 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 2.1725 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 3.8688 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 3.6497 1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 2.5990 2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1057 2.2192 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 3.8677 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6819 2.5954 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 4.4151 3.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 2.8980 3.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 4.3976 3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 5.3865 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 6.1958 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 5.0797 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 3.3846 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9675 3.9792 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 2.0310 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0254 4.5973 -1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 5.9352 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4576 5.7130 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8546 8.1359 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4948 8.8213 -1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0041 11.5234 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0542 3.3722 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4096 4.4823 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 4.0147 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2318 4.2252 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9387 4.9792 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8888 3.3044 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3816 2.3107 1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2792 0.9527 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5068 1.8717 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4008 1.5737 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0865 -0.3329 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 -0.0023 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3037 -1.1986 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1554 -0.9254 -2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1072 -2.1283 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7508 -3.1628 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5440 -4.1125 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1787 -2.5385 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2953 -2.3502 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3481 -3.4122 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6162 -4.5839 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -4.0313 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1068 -5.1143 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2827 -6.2525 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 -6.5318 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6472 -7.5668 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8645 -8.3866 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2573 -8.0104 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3064 -4.4964 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 -5.8967 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -7.2604 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 -4.9402 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8557 -5.3907 2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 -6.6337 2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -4.5184 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 -6.9521 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -6.3001 1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 -8.1562 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 -7.6859 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 -7.3703 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4179 -5.4237 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 -4.0959 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 -4.6532 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -5.7745 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -2.8233 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4066 -4.1267 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -3.8196 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 -2.7009 -2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 -3.4943 -3.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9749 -4.4454 -2.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 1 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 77 78 2 0 0 0 0 77 79 1 0 0 0 0 50 80 1 0 0 0 0 79 19 1 0 0 0 0 80 44 1 0 0 0 0 1 81 1 0 0 0 0 1 82 1 0 0 0 0 1 83 1 0 0 0 0 4 84 1 0 0 0 0 4 85 1 0 0 0 0 5 86 1 0 0 0 0 6 87 1 0 0 0 0 6 88 1 0 0 0 0 7 89 1 0 0 0 0 7 90 1 0 0 0 0 8 91 1 0 0 0 0 8 92 1 0 0 0 0 9 93 1 0 0 0 0 10 94 1 0 0 0 0 11 95 1 0 0 0 0 11 96 1 0 0 0 0 12 97 1 0 0 0 0 12 98 1 0 0 0 0 13 99 1 0 0 0 0 13100 1 0 0 0 0 14101 1 6 0 0 0 15102 1 0 0 0 0 15103 1 0 0 0 0 15104 1 0 0 0 0 16105 1 0 0 0 0 16106 1 0 0 0 0 17107 1 6 0 0 0 18108 1 0 0 0 0 18109 1 0 0 0 0 18110 1 0 0 0 0 19111 1 1 0 0 0 20112 1 0 0 0 0 20113 1 0 0 0 0 21114 1 0 0 0 0 22115 1 0 0 0 0 23116 1 0 0 0 0 24117 1 0 0 0 0 25118 1 6 0 0 0 26119 1 0 0 0 0 27120 1 1 0 0 0 28121 1 0 0 0 0 28122 1 0 0 0 0 28123 1 0 0 0 0 29124 1 6 0 0 0 30125 1 0 0 0 0 31126 1 0 0 0 0 31127 1 0 0 0 0 32128 1 1 0 0 0 33129 1 0 0 0 0 34130 1 0 0 0 0 34131 1 0 0 0 0 35132 1 1 0 0 0 39133 1 0 0 0 0 39134 1 0 0 0 0 42135 1 0 0 0 0 43136 1 0 0 0 0 43137 1 0 0 0 0 44138 1 6 0 0 0 45139 1 0 0 0 0 45140 1 0 0 0 0 46141 1 6 0 0 0 47142 1 0 0 0 0 48143 1 6 0 0 0 49144 1 0 0 0 0 51145 1 0 0 0 0 52146 1 0 0 0 0 52147 1 0 0 0 0 53148 1 6 0 0 0 54149 1 0 0 0 0 55150 1 1 0 0 0 56151 1 0 0 0 0 56152 1 0 0 0 0 56153 1 0 0 0 0 57154 1 0 0 0 0 57155 1 0 0 0 0 58156 1 0 0 0 0 58157 1 0 0 0 0 59158 1 1 0 0 0 60159 1 0 0 0 0 61160 1 6 0 0 0 62161 1 0 0 0 0 62162 1 0 0 0 0 62163 1 0 0 0 0 63164 1 1 0 0 0 64165 1 0 0 0 0 65166 1 1 0 0 0 66167 1 0 0 0 0 66168 1 0 0 0 0 66169 1 0 0 0 0 67170 1 6 0 0 0 68171 1 0 0 0 0 69172 1 1 0 0 0 70173 1 0 0 0 0 70174 1 0 0 0 0 70175 1 0 0 0 0 71176 1 0 0 0 0 71177 1 0 0 0 0 72178 1 0 0 0 0 72179 1 0 0 0 0 73180 1 1 0 0 0 74181 1 0 0 0 0 75182 1 6 0 0 0 76183 1 0 0 0 0 76184 1 0 0 0 0 76185 1 0 0 0 0 M END > <DATABASE_ID> NP0003410 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])O[C@](O[H])(C([H])([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(C(=O)O[C@]([H])(C([H])([H])\C([H])=C(\[H])/C(/[H])=C([H])\[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N\C([H])([H])[H])\N([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])C2([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)/b11-10+,17-14-,20-16-/t34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46+,47+,48+,49-,50-,51+,54+,55-,56+,59+/m0/s1 > <INCHI_KEY> QJBZWXDRESIVAD-XTHAQYFTSA-N > <FORMULA> C59H105N3O18 > <MOLECULAR_WEIGHT> 1144.492 > <EXACT_MASS> 1143.739313553 > <JCHEM_ACCEPTOR_COUNT> 19 > <JCHEM_ATOM_COUNT> 185 > <JCHEM_AVERAGE_POLARIZABILITY> 129.3942344015395 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 14 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 3-oxo-3-{[(1S,3R,5S,7R,8S,9S,10Z,12Z,15R,18S,19R,22S,23R,24R,25S,26S,27R,30S,31S,33R,34R,35S)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-[(E)-N''-methylcarbamimidamido]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy}propanoic acid > <ALOGPS_LOGP> 2.16 > <JCHEM_LOGP> 1.6913007243411833 > <ALOGPS_LOGS> -4.60 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.913063596248362 > <JCHEM_PKA_STRONGEST_ACIDIC> 3.20932248605689 > <JCHEM_PKA_STRONGEST_BASIC> 12.027566444944553 > <JCHEM_POLAR_SURFACE_AREA> 372.07000000000005 > <JCHEM_REFRACTIVITY> 304.6803 > <JCHEM_ROTATABLE_BOND_COUNT> 15 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.89e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> 3-oxo-3-{[(1S,3R,5S,7R,8S,9S,10Z,12Z,15R,18S,19R,22S,23R,24R,25S,26S,27R,30S,31S,33R,34R,35S)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-[(E)-N''-methylcarbamimidamido]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy}propanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0003410 (Dihydroniphimycin)RDKit 3D 185186 0 0 0 0 0 0 0 0999 V2000 17.3840 2.0145 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9882 1.6935 -0.7184 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5870 0.4951 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5290 -0.5506 -0.9924 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2067 0.1578 -0.7529 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2892 1.1648 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.7112 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6713 -0.5087 0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2264 -0.9239 0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5133 -0.9308 1.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0582 -1.3423 1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 -0.1693 2.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 1.0343 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9898 0.8003 -0.1179 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2892 2.1591 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 0.4867 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 0.1874 -1.4198 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9619 1.2496 -2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -0.3112 -1.1404 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6335 0.6926 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 2.0313 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 3.1073 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 3.2690 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 2.9748 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 3.1584 0.7402 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4782 4.1905 -0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 3.4158 1.6306 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5925 3.7703 3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 4.6424 1.0273 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4753 5.2329 1.9525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 4.2545 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 3.9694 0.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1534 2.6823 -0.2862 O 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57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 69 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 75 76 1 0 75 77 1 0 77 78 2 0 77 79 1 0 50 80 1 0 79 19 1 0 80 44 1 0 1 81 1 0 1 82 1 0 1 83 1 0 4 84 1 0 4 85 1 0 5 86 1 0 6 87 1 0 6 88 1 0 7 89 1 0 7 90 1 0 8 91 1 0 8 92 1 0 9 93 1 0 10 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 12 98 1 0 13 99 1 0 13100 1 0 14101 1 6 15102 1 0 15103 1 0 15104 1 0 16105 1 0 16106 1 0 17107 1 6 18108 1 0 18109 1 0 18110 1 0 19111 1 1 20112 1 0 20113 1 0 21114 1 0 22115 1 0 23116 1 0 24117 1 0 25118 1 6 26119 1 0 27120 1 1 28121 1 0 28122 1 0 28123 1 0 29124 1 6 30125 1 0 31126 1 0 31127 1 0 32128 1 1 33129 1 0 34130 1 0 34131 1 0 35132 1 1 39133 1 0 39134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 6 45139 1 0 45140 1 0 46141 1 6 47142 1 0 48143 1 6 49144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 6 54149 1 0 55150 1 1 56151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 1 60159 1 0 61160 1 6 62161 1 0 62162 1 0 62163 1 0 63164 1 1 64165 1 0 65166 1 1 66167 1 0 66168 1 0 66169 1 0 67170 1 6 68171 1 0 69172 1 1 70173 1 0 70174 1 0 70175 1 0 71176 1 0 71177 1 0 72178 1 0 72179 1 0 73180 1 1 74181 1 0 75182 1 6 76183 1 0 76184 1 0 76185 1 0 M END PDB for NP0003410 (Dihydroniphimycin)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 17.384 2.014 -0.785 0.00 0.00 C+0 HETATM 2 N UNK 0 15.988 1.694 -0.718 0.00 0.00 N+0 HETATM 3 C UNK 0 15.587 0.495 -0.815 0.00 0.00 C+0 HETATM 4 N UNK 0 16.529 -0.551 -0.992 0.00 0.00 N+0 HETATM 5 N UNK 0 14.207 0.158 -0.753 0.00 0.00 N+0 HETATM 6 C UNK 0 13.289 1.165 -0.288 0.00 0.00 C+0 HETATM 7 C UNK 0 11.855 0.711 -0.285 0.00 0.00 C+0 HETATM 8 C UNK 0 11.671 -0.509 0.626 0.00 0.00 C+0 HETATM 9 C UNK 0 10.226 -0.924 0.600 0.00 0.00 C+0 HETATM 10 C UNK 0 9.513 -0.931 1.713 0.00 0.00 C+0 HETATM 11 C UNK 0 8.058 -1.342 1.711 0.00 0.00 C+0 HETATM 12 C UNK 0 7.222 -0.169 2.204 0.00 0.00 C+0 HETATM 13 C UNK 0 7.401 1.034 1.341 0.00 0.00 C+0 HETATM 14 C UNK 0 6.990 0.800 -0.118 0.00 0.00 C+0 HETATM 15 C UNK 0 7.289 2.159 -0.782 0.00 0.00 C+0 HETATM 16 C UNK 0 5.530 0.487 -0.099 0.00 0.00 C+0 HETATM 17 C UNK 0 4.892 0.187 -1.420 0.00 0.00 C+0 HETATM 18 C UNK 0 4.962 1.250 -2.435 0.00 0.00 C+0 HETATM 19 C UNK 0 3.489 -0.311 -1.140 0.00 0.00 C+0 HETATM 20 C UNK 0 2.634 0.693 -0.407 0.00 0.00 C+0 HETATM 21 C UNK 0 2.593 2.031 -0.989 0.00 0.00 C+0 HETATM 22 C UNK 0 2.968 3.107 -0.319 0.00 0.00 C+0 HETATM 23 C UNK 0 2.677 3.269 1.097 0.00 0.00 C+0 HETATM 24 C UNK 0 1.482 2.975 1.579 0.00 0.00 C+0 HETATM 25 C UNK 0 0.243 3.158 0.740 0.00 0.00 C+0 HETATM 26 O UNK 0 0.478 4.191 -0.140 0.00 0.00 O+0 HETATM 27 C UNK 0 -0.949 3.416 1.631 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.593 3.770 3.037 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.652 4.642 1.027 0.00 0.00 C+0 HETATM 30 O UNK 0 -2.475 5.233 1.952 0.00 0.00 O+0 HETATM 31 C UNK 0 -2.418 4.255 -0.202 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.848 3.969 0.215 0.00 0.00 C+0 HETATM 33 O UNK 0 -4.153 2.682 -0.286 0.00 0.00 O+0 HETATM 34 C UNK 0 -4.723 5.009 -0.443 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.888 5.340 0.442 0.00 0.00 C+0 HETATM 36 O UNK 0 -6.710 6.346 -0.053 0.00 0.00 O+0 HETATM 37 C UNK 0 -6.929 7.561 0.587 0.00 0.00 C+0 HETATM 38 O UNK 0 -6.334 7.731 1.681 0.00 0.00 O+0 HETATM 39 C UNK 0 -7.817 8.558 -0.026 0.00 0.00 C+0 HETATM 40 C UNK 0 -7.933 9.759 0.832 0.00 0.00 C+0 HETATM 41 O UNK 0 -7.322 9.790 1.919 0.00 0.00 O+0 HETATM 42 O UNK 0 -8.716 10.859 0.442 0.00 0.00 O+0 HETATM 43 C UNK 0 -6.690 4.124 0.837 0.00 0.00 C+0 HETATM 44 C UNK 0 -7.472 3.538 -0.340 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.891 4.008 -0.337 0.00 0.00 C+0 HETATM 46 C UNK 0 -9.882 3.089 0.282 0.00 0.00 C+0 HETATM 47 O UNK 0 -9.940 3.138 1.658 0.00 0.00 O+0 HETATM 48 C UNK 0 -9.520 1.677 -0.219 0.00 0.00 C+0 HETATM 49 O UNK 0 -9.441 1.883 -1.622 0.00 0.00 O+0 HETATM 50 C UNK 0 -8.146 1.417 0.323 0.00 0.00 C+0 HETATM 51 O UNK 0 -8.076 2.029 1.603 0.00 0.00 O+0 HETATM 52 C UNK 0 -7.749 0.021 0.500 0.00 0.00 C+0 HETATM 53 C UNK 0 -8.148 -0.981 -0.488 0.00 0.00 C+0 HETATM 54 O UNK 0 -9.255 -0.707 -1.247 0.00 0.00 O+0 HETATM 55 C UNK 0 -8.417 -2.348 0.164 0.00 0.00 C+0 HETATM 56 C UNK 0 -9.237 -3.142 -0.832 0.00 0.00 C+0 HETATM 57 C UNK 0 -7.177 -3.046 0.594 0.00 0.00 C+0 HETATM 58 C UNK 0 -6.818 -4.257 -0.213 0.00 0.00 C+0 HETATM 59 C UNK 0 -6.510 -5.459 0.668 0.00 0.00 C+0 HETATM 60 O UNK 0 -7.665 -6.189 0.944 0.00 0.00 O+0 HETATM 61 C UNK 0 -5.455 -6.309 0.002 0.00 0.00 C+0 HETATM 62 C UNK 0 -5.253 -7.622 0.713 0.00 0.00 C+0 HETATM 63 C UNK 0 -4.183 -5.496 -0.073 0.00 0.00 C+0 HETATM 64 O UNK 0 -3.850 -5.290 -1.425 0.00 0.00 O+0 HETATM 65 C UNK 0 -3.011 -6.163 0.569 0.00 0.00 C+0 HETATM 66 C UNK 0 -2.897 -5.767 2.047 0.00 0.00 C+0 HETATM 67 C UNK 0 -1.748 -5.625 -0.115 0.00 0.00 C+0 HETATM 68 O UNK 0 -1.808 -6.035 -1.433 0.00 0.00 O+0 HETATM 69 C UNK 0 -0.499 -6.070 0.583 0.00 0.00 C+0 HETATM 70 C UNK 0 -0.076 -7.382 -0.042 0.00 0.00 C+0 HETATM 71 C UNK 0 0.600 -5.044 0.560 0.00 0.00 C+0 HETATM 72 C UNK 0 1.155 -4.832 -0.825 0.00 0.00 C+0 HETATM 73 C UNK 0 2.121 -3.671 -0.878 0.00 0.00 C+0 HETATM 74 O UNK 0 3.331 -4.151 -0.376 0.00 0.00 O+0 HETATM 75 C UNK 0 2.226 -3.177 -2.281 0.00 0.00 C+0 HETATM 76 C UNK 0 3.609 -3.495 -2.877 0.00 0.00 C+0 HETATM 77 C UNK 0 1.890 -1.739 -2.444 0.00 0.00 C+0 HETATM 78 O UNK 0 0.669 -1.512 -2.778 0.00 0.00 O+0 HETATM 79 O UNK 0 2.812 -0.777 -2.250 0.00 0.00 O+0 HETATM 80 O UNK 0 -7.279 2.188 -0.472 0.00 0.00 O+0 HETATM 81 H UNK 0 17.869 1.747 0.158 0.00 0.00 H+0 HETATM 82 H UNK 0 17.535 3.100 -1.012 0.00 0.00 H+0 HETATM 83 H UNK 0 17.851 1.378 -1.576 0.00 0.00 H+0 HETATM 84 H UNK 0 17.342 -0.650 -0.341 0.00 0.00 H+0 HETATM 85 H UNK 0 16.439 -1.240 -1.765 0.00 0.00 H+0 HETATM 86 H UNK 0 13.831 -0.760 -1.021 0.00 0.00 H+0 HETATM 87 H UNK 0 13.374 2.042 -0.985 0.00 0.00 H+0 HETATM 88 H UNK 0 13.531 1.452 0.760 0.00 0.00 H+0 HETATM 89 H UNK 0 11.168 1.494 0.053 0.00 0.00 H+0 HETATM 90 H UNK 0 11.598 0.389 -1.324 0.00 0.00 H+0 HETATM 91 H UNK 0 12.000 -0.244 1.631 0.00 0.00 H+0 HETATM 92 H UNK 0 12.297 -1.339 0.247 0.00 0.00 H+0 HETATM 93 H UNK 0 9.783 -1.218 -0.339 0.00 0.00 H+0 HETATM 94 H UNK 0 10.002 -0.633 2.632 0.00 0.00 H+0 HETATM 95 H UNK 0 7.753 -1.711 0.726 0.00 0.00 H+0 HETATM 96 H UNK 0 7.939 -2.163 2.443 0.00 0.00 H+0 HETATM 97 H UNK 0 7.638 0.099 3.212 0.00 0.00 H+0 HETATM 98 H UNK 0 6.167 -0.430 2.374 0.00 0.00 H+0 HETATM 99 H UNK 0 8.467 1.352 1.399 0.00 0.00 H+0 HETATM 100 H UNK 0 6.800 1.853 1.775 0.00 0.00 H+0 HETATM 101 H UNK 0 7.540 -0.023 -0.588 0.00 0.00 H+0 HETATM 102 H UNK 0 7.460 2.094 -1.847 0.00 0.00 H+0 HETATM 103 H UNK 0 6.587 2.932 -0.424 0.00 0.00 H+0 HETATM 104 H UNK 0 8.291 2.504 -0.356 0.00 0.00 H+0 HETATM 105 H UNK 0 5.428 -0.475 0.502 0.00 0.00 H+0 HETATM 106 H UNK 0 4.963 1.224 0.513 0.00 0.00 H+0 HETATM 107 H UNK 0 5.436 -0.733 -1.798 0.00 0.00 H+0 HETATM 108 H UNK 0 4.096 1.255 -3.148 0.00 0.00 H+0 HETATM 109 H UNK 0 5.830 1.026 -3.128 0.00 0.00 H+0 HETATM 110 H UNK 0 5.091 2.281 -2.101 0.00 0.00 H+0 HETATM 111 H UNK 0 3.616 -1.170 -0.438 0.00 0.00 H+0 HETATM 112 H UNK 0 1.576 0.303 -0.430 0.00 0.00 H+0 HETATM 113 H UNK 0 2.902 0.720 0.670 0.00 0.00 H+0 HETATM 114 H UNK 0 2.248 2.172 -2.001 0.00 0.00 H+0 HETATM 115 H UNK 0 3.515 3.869 -0.874 0.00 0.00 H+0 HETATM 116 H UNK 0 3.485 3.650 1.749 0.00 0.00 H+0 HETATM 117 H UNK 0 1.419 2.599 2.589 0.00 0.00 H+0 HETATM 118 H UNK 0 0.106 2.219 0.185 0.00 0.00 H+0 HETATM 119 H UNK 0 0.372 3.868 -1.067 0.00 0.00 H+0 HETATM 120 H UNK 0 -1.682 2.595 1.601 0.00 0.00 H+0 HETATM 121 H UNK 0 0.314 4.415 3.056 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.495 2.898 3.716 0.00 0.00 H+0 HETATM 123 H UNK 0 -1.420 4.398 3.453 0.00 0.00 H+0 HETATM 124 H UNK 0 -0.854 5.386 0.741 0.00 0.00 H+0 HETATM 125 H UNK 0 -2.568 6.196 1.695 0.00 0.00 H+0 HETATM 126 H UNK 0 -2.350 5.080 -0.945 0.00 0.00 H+0 HETATM 127 H UNK 0 -1.932 3.385 -0.660 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.967 3.979 1.321 0.00 0.00 H+0 HETATM 129 H UNK 0 -3.564 2.031 0.201 0.00 0.00 H+0 HETATM 130 H UNK 0 -5.025 4.597 -1.426 0.00 0.00 H+0 HETATM 131 H UNK 0 -4.113 5.935 -0.531 0.00 0.00 H+0 HETATM 132 H UNK 0 -5.458 5.713 1.412 0.00 0.00 H+0 HETATM 133 H UNK 0 -8.855 8.136 -0.125 0.00 0.00 H+0 HETATM 134 H UNK 0 -7.495 8.821 -1.059 0.00 0.00 H+0 HETATM 135 H UNK 0 -9.004 11.523 1.157 0.00 0.00 H+0 HETATM 136 H UNK 0 -6.054 3.372 1.320 0.00 0.00 H+0 HETATM 137 H UNK 0 -7.410 4.482 1.632 0.00 0.00 H+0 HETATM 138 H UNK 0 -6.994 4.015 -1.249 0.00 0.00 H+0 HETATM 139 H UNK 0 -9.232 4.225 -1.389 0.00 0.00 H+0 HETATM 140 H UNK 0 -8.939 4.979 0.201 0.00 0.00 H+0 HETATM 141 H UNK 0 -10.889 3.304 -0.114 0.00 0.00 H+0 HETATM 142 H UNK 0 -10.382 2.311 1.963 0.00 0.00 H+0 HETATM 143 H UNK 0 -10.279 0.953 0.055 0.00 0.00 H+0 HETATM 144 H UNK 0 -8.507 1.872 -1.937 0.00 0.00 H+0 HETATM 145 H UNK 0 -7.401 1.574 2.164 0.00 0.00 H+0 HETATM 146 H UNK 0 -8.086 -0.333 1.521 0.00 0.00 H+0 HETATM 147 H UNK 0 -6.621 -0.002 0.592 0.00 0.00 H+0 HETATM 148 H UNK 0 -7.304 -1.199 -1.208 0.00 0.00 H+0 HETATM 149 H UNK 0 -9.155 -0.925 -2.203 0.00 0.00 H+0 HETATM 150 H UNK 0 -9.107 -2.128 1.019 0.00 0.00 H+0 HETATM 151 H UNK 0 -8.751 -3.163 -1.826 0.00 0.00 H+0 HETATM 152 H UNK 0 -9.544 -4.112 -0.444 0.00 0.00 H+0 HETATM 153 H UNK 0 -10.179 -2.539 -0.982 0.00 0.00 H+0 HETATM 154 H UNK 0 -6.295 -2.350 0.683 0.00 0.00 H+0 HETATM 155 H UNK 0 -7.348 -3.412 1.648 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.616 -4.584 -0.897 0.00 0.00 H+0 HETATM 157 H UNK 0 -5.904 -4.031 -0.789 0.00 0.00 H+0 HETATM 158 H UNK 0 -6.107 -5.114 1.649 0.00 0.00 H+0 HETATM 159 H UNK 0 -8.283 -6.253 0.174 0.00 0.00 H+0 HETATM 160 H UNK 0 -5.824 -6.532 -1.019 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.647 -7.567 1.615 0.00 0.00 H+0 HETATM 162 H UNK 0 -4.864 -8.387 -0.023 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.257 -8.010 1.026 0.00 0.00 H+0 HETATM 164 H UNK 0 -4.306 -4.496 0.390 0.00 0.00 H+0 HETATM 165 H UNK 0 -4.361 -5.897 -2.011 0.00 0.00 H+0 HETATM 166 H UNK 0 -2.997 -7.260 0.456 0.00 0.00 H+0 HETATM 167 H UNK 0 -2.164 -4.940 2.171 0.00 0.00 H+0 HETATM 168 H UNK 0 -3.856 -5.391 2.428 0.00 0.00 H+0 HETATM 169 H UNK 0 -2.504 -6.634 2.581 0.00 0.00 H+0 HETATM 170 H UNK 0 -1.841 -4.518 -0.104 0.00 0.00 H+0 HETATM 171 H UNK 0 -2.141 -6.952 -1.562 0.00 0.00 H+0 HETATM 172 H UNK 0 -0.708 -6.300 1.666 0.00 0.00 H+0 HETATM 173 H UNK 0 -0.829 -8.156 0.282 0.00 0.00 H+0 HETATM 174 H UNK 0 0.879 -7.686 0.396 0.00 0.00 H+0 HETATM 175 H UNK 0 -0.121 -7.370 -1.135 0.00 0.00 H+0 HETATM 176 H UNK 0 1.418 -5.424 1.223 0.00 0.00 H+0 HETATM 177 H UNK 0 0.227 -4.096 0.947 0.00 0.00 H+0 HETATM 178 H UNK 0 0.271 -4.653 -1.497 0.00 0.00 H+0 HETATM 179 H UNK 0 1.615 -5.774 -1.178 0.00 0.00 H+0 HETATM 180 H UNK 0 1.731 -2.823 -0.253 0.00 0.00 H+0 HETATM 181 H UNK 0 3.407 -4.127 0.591 0.00 0.00 H+0 HETATM 182 H UNK 0 1.539 -3.820 -2.911 0.00 0.00 H+0 HETATM 183 H UNK 0 4.302 -2.701 -2.545 0.00 0.00 H+0 HETATM 184 H UNK 0 3.551 -3.494 -3.988 0.00 0.00 H+0 HETATM 185 H UNK 0 3.975 -4.445 -2.457 0.00 0.00 H+0 CONECT 1 2 81 82 83 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 84 85 CONECT 5 3 6 86 CONECT 6 5 7 87 88 CONECT 7 6 8 89 90 CONECT 8 7 9 91 92 CONECT 9 8 10 93 CONECT 10 9 11 94 CONECT 11 10 12 95 96 CONECT 12 11 13 97 98 CONECT 13 12 14 99 100 CONECT 14 13 15 16 101 CONECT 15 14 102 103 104 CONECT 16 14 17 105 106 CONECT 17 16 18 19 107 CONECT 18 17 108 109 110 CONECT 19 17 20 79 111 CONECT 20 19 21 112 113 CONECT 21 20 22 114 CONECT 22 21 23 115 CONECT 23 22 24 116 CONECT 24 23 25 117 CONECT 25 24 26 27 118 CONECT 26 25 119 CONECT 27 25 28 29 120 CONECT 28 27 121 122 123 CONECT 29 27 30 31 124 CONECT 30 29 125 CONECT 31 29 32 126 127 CONECT 32 31 33 34 128 CONECT 33 32 129 CONECT 34 32 35 130 131 CONECT 35 34 36 43 132 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 133 134 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 135 CONECT 43 35 44 136 137 CONECT 44 43 45 80 138 CONECT 45 44 46 139 140 CONECT 46 45 47 48 141 CONECT 47 46 142 CONECT 48 46 49 50 143 CONECT 49 48 144 CONECT 50 48 51 52 80 CONECT 51 50 145 CONECT 52 50 53 146 147 CONECT 53 52 54 55 148 CONECT 54 53 149 CONECT 55 53 56 57 150 CONECT 56 55 151 152 153 CONECT 57 55 58 154 155 CONECT 58 57 59 156 157 CONECT 59 58 60 61 158 CONECT 60 59 159 CONECT 61 59 62 63 160 CONECT 62 61 161 162 163 CONECT 63 61 64 65 164 CONECT 64 63 165 CONECT 65 63 66 67 166 CONECT 66 65 167 168 169 CONECT 67 65 68 69 170 CONECT 68 67 171 CONECT 69 67 70 71 172 CONECT 70 69 173 174 175 CONECT 71 69 72 176 177 CONECT 72 71 73 178 179 CONECT 73 72 74 75 180 CONECT 74 73 181 CONECT 75 73 76 77 182 CONECT 76 75 183 184 185 CONECT 77 75 78 79 CONECT 78 77 CONECT 79 77 19 CONECT 80 50 44 CONECT 81 1 CONECT 82 1 CONECT 83 1 CONECT 84 4 CONECT 85 4 CONECT 86 5 CONECT 87 6 CONECT 88 6 CONECT 89 7 CONECT 90 7 CONECT 91 8 CONECT 92 8 CONECT 93 9 CONECT 94 10 CONECT 95 11 CONECT 96 11 CONECT 97 12 CONECT 98 12 CONECT 99 13 CONECT 100 13 CONECT 101 14 CONECT 102 15 CONECT 103 15 CONECT 104 15 CONECT 105 16 CONECT 106 16 CONECT 107 17 CONECT 108 18 CONECT 109 18 CONECT 110 18 CONECT 111 19 CONECT 112 20 CONECT 113 20 CONECT 114 21 CONECT 115 22 CONECT 116 23 CONECT 117 24 CONECT 118 25 CONECT 119 26 CONECT 120 27 CONECT 121 28 CONECT 122 28 CONECT 123 28 CONECT 124 29 CONECT 125 30 CONECT 126 31 CONECT 127 31 CONECT 128 32 CONECT 129 33 CONECT 130 34 CONECT 131 34 CONECT 132 35 CONECT 133 39 CONECT 134 39 CONECT 135 42 CONECT 136 43 CONECT 137 43 CONECT 138 44 CONECT 139 45 CONECT 140 45 CONECT 141 46 CONECT 142 47 CONECT 143 48 CONECT 144 49 CONECT 145 51 CONECT 146 52 CONECT 147 52 CONECT 148 53 CONECT 149 54 CONECT 150 55 CONECT 151 56 CONECT 152 56 CONECT 153 56 CONECT 154 57 CONECT 155 57 CONECT 156 58 CONECT 157 58 CONECT 158 59 CONECT 159 60 CONECT 160 61 CONECT 161 62 CONECT 162 62 CONECT 163 62 CONECT 164 63 CONECT 165 64 CONECT 166 65 CONECT 167 66 CONECT 168 66 CONECT 169 66 CONECT 170 67 CONECT 171 68 CONECT 172 69 CONECT 173 70 CONECT 174 70 CONECT 175 70 CONECT 176 71 CONECT 177 71 CONECT 178 72 CONECT 179 72 CONECT 180 73 CONECT 181 74 CONECT 182 75 CONECT 183 76 CONECT 184 76 CONECT 185 76 MASTER 0 0 0 0 0 0 0 0 185 0 372 0 END SMILES for NP0003410 (Dihydroniphimycin)[H]OC(=O)C([H])([H])C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])O[C@](O[H])(C([H])([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(C(=O)O[C@]([H])(C([H])([H])\C([H])=C(\[H])/C(/[H])=C([H])\[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N\C([H])([H])[H])\N([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])C2([H])[H] INCHI for NP0003410 (Dihydroniphimycin)InChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)/b11-10+,17-14-,20-16-/t34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46+,47+,48+,49-,50-,51+,54+,55-,56+,59+/m0/s1 3D Structure for NP0003410 (Dihydroniphimycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C59H105N3O18 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1144.4920 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1143.73931 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 3-oxo-3-{[(1S,3R,5S,7R,8S,9S,10Z,12Z,15R,18S,19R,22S,23R,24R,25S,26S,27R,30S,31S,33R,34R,35S)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-[(E)-N''-methylcarbamimidamido]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 3-oxo-3-{[(1S,3R,5S,7R,8S,9S,10Z,12Z,15R,18S,19R,22S,23R,24R,25S,26S,27R,30S,31S,33R,34R,35S)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-[(E)-N''-methylcarbamimidamido]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CN=C(N)NCCC\C=C\CCCC(C)CC(C)C1C\C=C/C=C\C(O)C(C)C(O)CC(O)CC(CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)C(C)C(O)C(C)C(O)C(C)CCC(O)C(C)C(=O)O1)O2)OC(=O)CC(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)/b11-10+,17-14-,20-16- | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | QJBZWXDRESIVAD-XTHAQYFTSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA005651 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78444028 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139584668 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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