NP-MRD: Showing NP-Card for SMTP-4 (NP0023948)

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Record Information

Version

1.0

Created at

2021-01-06 08:58:03 UTC

Updated at

2021-07-15 17:43:07 UTC

NP-MRD ID

NP0023948

Secondary Accession Numbers

None

Natural Product Identification

Common Name

SMTP-4

Provided By

NPAtlas

Description

SMTP-4 is found in Stachybotrys and Stachybotrys microspora. It was first documented in 1998 (PMID: 10048563). Based on a literature review very few articles have been published on 2-{2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-2H,3H,4H,7H,8H,9H-pyrano[2,3-e]isoindol-8-yl}-3-phenylpropanoic acid (PMID: 34352962) (PMID: 34352961) (PMID: 34352960) (PMID: 34352959).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042108223D          

 78 81  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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   -0.7951   -4.7926    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -3.5155    1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436   -3.7488   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1663   -3.9097   -2.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 24 32  1  0
 32 33  2  0
 32 34  1  0
 23 35  1  0
 35 36  2  0
 16 37  1  0
 37 38  1  0
 38 39  1  0
 38 12  1  0
 21 15  1  0
 31 26  1  0
 35 20  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  3 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
  8 51  1  0
  8 52  1  0
  8 53  1  0
  9 54  1  0
 10 55  1  0
 10 56  1  0
 11 57  1  0
 11 58  1  0
 13 59  1  0
 13 60  1  0
 13 61  1  0
 18 62  1  0
 19 63  1  0
 22 64  1  0
 22 65  1  0
 24 66  1  6
 25 67  1  0
 25 68  1  0
 27 69  1  0
 28 70  1  0
 29 71  1  0
 30 72  1  0
 31 73  1  0
 34 74  1  0
 37 75  1  0
 37 76  1  0
 38 77  1  6
 39 78  1  0
M  END


  Mrv1652307042108223D          

 78 81  0  0  0  0            999 V2000
    8.0984    2.5015    1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.1981   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    2.6772   -1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859    1.5030   -0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8825    0.9764    0.1190 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7914   -0.5312    0.0345 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6663   -0.9644    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6643   -0.6798    2.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113   -1.6306    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -2.0682    1.2630 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1717   -1.4795    0.9643 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5597   -1.6848   -0.3623 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3307   -1.1511   -1.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.9982   -0.3425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9192   -1.6751   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956   -2.9973    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101   -3.6177    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638   -4.9542    0.5341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4039   -2.9375   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -1.5950   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1193   -0.9915   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2746    0.4294   -0.8732 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6797    0.6378   -0.9997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2727    1.9070   -1.3674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0284    2.9514   -0.2695 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6344    2.5430    1.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0063    1.8348    1.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6780    1.5019    3.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9873    1.8583    3.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6079    2.5755    2.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9566    2.9187    1.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8173    2.4255   -2.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0159    1.7441   -3.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2204    3.6391   -3.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3600   -0.5948   -0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6067   -0.7696   -0.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7254   -3.7180    0.3555 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2542   -3.1352   -0.6739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4386   -3.1415   -1.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0926    2.9232    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8794    1.6170    1.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    3.3225    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6049    3.5373   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6298    3.0202   -2.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8336    1.8830   -1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9074    1.2732   -1.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9228    1.3155    1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    1.3799   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -0.8154   -1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -1.0116    0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5565   -0.0922    2.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7808   -0.0459    2.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021   -1.6126    2.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609   -1.8271   -0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -3.1832    1.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -1.7697    2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211   -1.7076    1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2977   -0.3523    1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5653   -0.7231   -2.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501   -1.9580   -2.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.3145   -1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5605   -5.5187    0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3759   -3.3955    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049    0.6181   -1.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7815    1.0834   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3902    1.7054   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9211    3.0909   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4462    3.9164   -0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9760    1.5378    1.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1367    0.9396    3.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5100    1.5910    4.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6457    2.8830    2.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4955    3.4813    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4408    3.6678   -4.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951   -4.7926    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -3.5155    1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436   -3.7488   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1663   -3.9097   -2.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  3  0  0  0
  4  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
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 23 35  1  0  0  0  0
 35 36  2  0  0  0  0
 16 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 12  1  0  0  0  0
 21 15  1  0  0  0  0
 31 26  1  0  0  0  0
 35 20  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6 49  1  0  0  0  0
  6 50  1  0  0  0  0
  8 51  1  0  0  0  0
  8 52  1  0  0  0  0
  8 53  1  0  0  0  0
  9 54  1  0  0  0  0
 10 55  1  0  0  0  0
 10 56  1  0  0  0  0
 11 57  1  0  0  0  0
 11 58  1  0  0  0  0
 13 59  1  0  0  0  0
 13 60  1  0  0  0  0
 13 61  1  0  0  0  0
 18 62  1  0  0  0  0
 19 63  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 24 66  1  6  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 31 73  1  0  0  0  0
 34 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 77  1  6  0  0  0
 39 78  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0023948

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)[C@@]([H])(N1C(=O)C2=C(C3=C(C(O[H])=C2[H])C([H])([H])[C@@]([H])(O[H])[C@](O3)(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C32H39NO6/c1-20(2)10-8-11-21(3)12-9-15-32(4)28(35)18-24-27(34)17-23-25(29(24)39-32)19-33(30(23)36)26(31(37)38)16-22-13-6-5-7-14-22/h5-7,10,12-14,17,26,28,34-35H,8-9,11,15-16,18-19H2,1-4H3,(H,37,38)/b21-12+/t26-,28+,32-/m0/s1

> <INCHI_KEY>
HSOVHMPKFQKPSJ-CIAFOILYSA-N

> <FORMULA>
C32H39NO6

> <MOLECULAR_WEIGHT>
533.665

> <EXACT_MASS>
533.27773798

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
60.38067397565875

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-2H,3H,4H,7H,8H,9H-pyrano[2,3-e]isoindol-8-yl]-3-phenylpropanoic acid

> <ALOGPS_LOGP>
4.90

> <JCHEM_LOGP>
5.768390411333334

> <ALOGPS_LOGS>
-5.33

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.951912003334987

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.376552831541514

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9947447238906055

> <JCHEM_POLAR_SURFACE_AREA>
107.3

> <JCHEM_REFRACTIVITY>
152.9833

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.47e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3H,4H,9H-pyrano[2,3-e]isoindol-8-yl]-3-phenylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 78 81  0  0  0  0  0  0  0  0999 V2000
    8.0984    2.5015    1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.1981   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    2.6772   -1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859    1.5030   -0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8825    0.9764    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7914   -0.5312    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6663   -0.9644    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6643   -0.6798    2.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113   -1.6306    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -2.0682    1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1717   -1.4795    0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597   -1.6848   -0.3623 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3307   -1.1511   -1.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.9982   -0.3425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9192   -1.6751   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956   -2.9973    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101   -3.6177    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638   -4.9542    0.5341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4039   -2.9375   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -1.5950   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1193   -0.9915   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2746    0.4294   -0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6797    0.6378   -0.9997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2727    1.9070   -1.3674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0284    2.9514   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6344    2.5430    1.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0063    1.8348    1.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6780    1.5019    3.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9873    1.8583    3.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6079    2.5755    2.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9566    2.9187    1.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8173    2.4255   -2.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0159    1.7441   -3.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2204    3.6391   -3.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3600   -0.5948   -0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6067   -0.7696   -0.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7254   -3.7180    0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -3.1352   -0.6739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4386   -3.1415   -1.8928 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0926    2.9232    1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8794    1.6170    1.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    3.3225    1.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6049    3.5373   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6298    3.0202   -2.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8336    1.8830   -1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9074    1.2732   -1.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9228    1.3155    1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    1.3799   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -0.8154   -1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -1.0116    0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5565   -0.0922    2.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7808   -0.0459    2.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021   -1.6126    2.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609   -1.8271   -0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -3.1832    1.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379   -1.7697    2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211   -1.7076    1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2977   -0.3523    1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5653   -0.7231   -2.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501   -1.9580   -2.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.3145   -1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5605   -5.5187    0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3759   -3.3955    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7049    0.6181   -1.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7815    1.0834   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3902    1.7054   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9211    3.0909   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4462    3.9164   -0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9760    1.5378    1.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1367    0.9396    3.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5100    1.5910    4.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6457    2.8830    2.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4955    3.4813    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4408    3.6678   -4.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951   -4.7926    0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -3.5155    1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436   -3.7488   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1663   -3.9097   -2.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 24 32  1  0
 32 33  2  0
 32 34  1  0
 23 35  1  0
 35 36  2  0
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 37 38  1  0
 38 39  1  0
 38 12  1  0
 21 15  1  0
 31 26  1  0
 35 20  1  0
  1 40  1  0
  1 41  1  0
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  3 43  1  0
  3 44  1  0
  3 45  1  0
  4 46  1  0
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  5 48  1  0
  6 49  1  0
  6 50  1  0
  8 51  1  0
  8 52  1  0
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  9 54  1  0
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 10 56  1  0
 11 57  1  0
 11 58  1  0
 13 59  1  0
 13 60  1  0
 13 61  1  0
 18 62  1  0
 19 63  1  0
 22 64  1  0
 22 65  1  0
 24 66  1  6
 25 67  1  0
 25 68  1  0
 27 69  1  0
 28 70  1  0
 29 71  1  0
 30 72  1  0
 31 73  1  0
 34 74  1  0
 37 75  1  0
 37 76  1  0
 38 77  1  6
 39 78  1  0
M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0       8.098   2.502   1.174  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   2.198  -0.267  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.049   2.677  -1.188  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.986   1.503  -0.727  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.883   0.976   0.119  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.791  -0.531   0.035  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.666  -0.964   0.911  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.664  -0.680   2.372  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.611  -1.631   0.411  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.488  -2.068   1.263  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.172  -1.480   0.964  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.560  -1.685  -0.362  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.331  -1.151  -1.533  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.700  -0.998  -0.343  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.919  -1.675  -0.238  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.996  -2.997   0.102  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.210  -3.618   0.194  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.364  -4.954   0.534  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.404  -2.938  -0.054  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.350  -1.595  -0.402  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.119  -0.992  -0.487  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.275   0.429  -0.873  0.00  0.00           C+0
HETATM   23  N   UNK     0      -4.680   0.638  -1.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      -5.273   1.907  -1.367  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.028   2.951  -0.270  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.634   2.543   1.010  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.006   1.835   1.986  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.678   1.502   3.145  0.00  0.00           C+0
HETATM   29  C   UNK     0      -6.987   1.858   3.374  0.00  0.00           C+0
HETATM   30  C   UNK     0      -7.608   2.575   2.375  0.00  0.00           C+0
HETATM   31  C   UNK     0      -6.957   2.919   1.209  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.817   2.426  -2.663  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.016   1.744  -3.347  0.00  0.00           O+0
HETATM   34  O   UNK     0      -5.220   3.639  -3.191  0.00  0.00           O+0
HETATM   35  C   UNK     0      -5.360  -0.595  -0.720  0.00  0.00           C+0
HETATM   36  O   UNK     0      -6.607  -0.770  -0.748  0.00  0.00           O+0
HETATM   37  C   UNK     0      -0.725  -3.718   0.356  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.254  -3.135  -0.674  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.439  -3.142  -1.893  0.00  0.00           O+0
HETATM   40  H   UNK     0       9.093   2.923   1.405  0.00  0.00           H+0
HETATM   41  H   UNK     0       7.879   1.617   1.810  0.00  0.00           H+0
HETATM   42  H   UNK     0       7.345   3.322   1.369  0.00  0.00           H+0
HETATM   43  H   UNK     0       9.605   3.537  -0.725  0.00  0.00           H+0
HETATM   44  H   UNK     0       8.630   3.020  -2.162  0.00  0.00           H+0
HETATM   45  H   UNK     0       9.834   1.883  -1.344  0.00  0.00           H+0
HETATM   46  H   UNK     0       6.907   1.273  -1.801  0.00  0.00           H+0
HETATM   47  H   UNK     0       5.923   1.315   1.160  0.00  0.00           H+0
HETATM   48  H   UNK     0       4.932   1.380  -0.309  0.00  0.00           H+0
HETATM   49  H   UNK     0       5.529  -0.815  -1.012  0.00  0.00           H+0
HETATM   50  H   UNK     0       6.732  -1.012   0.382  0.00  0.00           H+0
HETATM   51  H   UNK     0       5.556  -0.092   2.675  0.00  0.00           H+0
HETATM   52  H   UNK     0       3.781  -0.046   2.660  0.00  0.00           H+0
HETATM   53  H   UNK     0       4.702  -1.613   2.978  0.00  0.00           H+0
HETATM   54  H   UNK     0       3.661  -1.827  -0.645  0.00  0.00           H+0
HETATM   55  H   UNK     0       2.493  -3.183   1.316  0.00  0.00           H+0
HETATM   56  H   UNK     0       2.738  -1.770   2.331  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.421  -1.708   1.771  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.298  -0.352   1.074  0.00  0.00           H+0
HETATM   59  H   UNK     0       0.565  -0.723  -2.257  0.00  0.00           H+0
HETATM   60  H   UNK     0       1.850  -1.958  -2.120  0.00  0.00           H+0
HETATM   61  H   UNK     0       1.967  -0.315  -1.254  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.561  -5.519   0.732  0.00  0.00           H+0
HETATM   63  H   UNK     0      -5.376  -3.396   0.008  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.705   0.618  -1.832  0.00  0.00           H+0
HETATM   65  H   UNK     0      -2.781   1.083  -0.125  0.00  0.00           H+0
HETATM   66  H   UNK     0      -6.390   1.705  -1.410  0.00  0.00           H+0
HETATM   67  H   UNK     0      -3.921   3.091  -0.189  0.00  0.00           H+0
HETATM   68  H   UNK     0      -5.446   3.916  -0.581  0.00  0.00           H+0
HETATM   69  H   UNK     0      -3.976   1.538   1.849  0.00  0.00           H+0
HETATM   70  H   UNK     0      -5.137   0.940   3.890  0.00  0.00           H+0
HETATM   71  H   UNK     0      -7.510   1.591   4.292  0.00  0.00           H+0
HETATM   72  H   UNK     0      -8.646   2.883   2.506  0.00  0.00           H+0
HETATM   73  H   UNK     0      -7.495   3.481   0.463  0.00  0.00           H+0
HETATM   74  H   UNK     0      -5.441   3.668  -4.193  0.00  0.00           H+0
HETATM   75  H   UNK     0      -0.795  -4.793   0.121  0.00  0.00           H+0
HETATM   76  H   UNK     0      -0.420  -3.515   1.390  0.00  0.00           H+0
HETATM   77  H   UNK     0       1.144  -3.749  -0.805  0.00  0.00           H+0
HETATM   78  H   UNK     0      -0.166  -3.910  -2.471  0.00  0.00           H+0
CONECT    1    2   40   41   42                                             
CONECT    2    1    3    4                                                  
CONECT    3    2   43   44   45                                             
CONECT    4    2    5   46                                                  
CONECT    5    4    6   47   48                                             
CONECT    6    5    7   49   50                                             
CONECT    7    6    8    9                                                  
CONECT    8    7   51   52   53                                             
CONECT    9    7   10   54                                                  
CONECT   10    9   11   55   56                                             
CONECT   11   10   12   57   58                                             
CONECT   12   11   13   14   38                                             
CONECT   13   12   59   60   61                                             
CONECT   14   12   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17   37                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17   62                                                       
CONECT   19   17   20   63                                                  
CONECT   20   19   21   35                                                  
CONECT   21   20   22   15                                                  
CONECT   22   21   23   64   65                                             
CONECT   23   22   24   35                                                  
CONECT   24   23   25   32   66                                             
CONECT   25   24   26   67   68                                             
CONECT   26   25   27   31                                                  
CONECT   27   26   28   69                                                  
CONECT   28   27   29   70                                                  
CONECT   29   28   30   71                                                  
CONECT   30   29   31   72                                                  
CONECT   31   30   26   73                                                  
CONECT   32   24   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   74                                                       
CONECT   35   23   36   20                                                  
CONECT   36   35                                                            
CONECT   37   16   38   75   76                                             
CONECT   38   37   39   12   77                                             
CONECT   39   38   78                                                       
CONECT   40    1                                                            
CONECT   41    1                                                            
CONECT   42    1                                                            
CONECT   43    3                                                            
CONECT   44    3                                                            
CONECT   45    3                                                            
CONECT   46    4                                                            
CONECT   47    5                                                            
CONECT   48    5                                                            
CONECT   49    6                                                            
CONECT   50    6                                                            
CONECT   51    8                                                            
CONECT   52    8                                                            
CONECT   53    8                                                            
CONECT   54    9                                                            
CONECT   55   10                                                            
CONECT   56   10                                                            
CONECT   57   11                                                            
CONECT   58   11                                                            
CONECT   59   13                                                            
CONECT   60   13                                                            
CONECT   61   13                                                            
CONECT   62   18                                                            
CONECT   63   19                                                            
CONECT   64   22                                                            
CONECT   65   22                                                            
CONECT   66   24                                                            
CONECT   67   25                                                            
CONECT   68   25                                                            
CONECT   69   27                                                            
CONECT   70   28                                                            
CONECT   71   29                                                            
CONECT   72   30                                                            
CONECT   73   31                                                            
CONECT   74   34                                                            
CONECT   75   37                                                            
CONECT   76   37                                                            
CONECT   77   38                                                            
CONECT   78   39                                                            
MASTER        0    0    0    0    0    0    0    0   78    0  162    0
END

RDKit          3D

78 81  0  0  0  0  0  0  0  0999 V2000
    8.0984    2.5015    1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.1981   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    2.6772   -1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859    1.5030   -0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8825    0.9764    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7914   -0.5312    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6663   -0.9644    0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6643   -0.6798    2.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113   -1.6306    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -2.0682    1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1717   -1.4795    0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597   -1.6848   -0.3623 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3307   -1.1511   -1.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.9982   -0.3425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9192   -1.6751   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956   -2.9973    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101   -3.6177    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638   -4.9542    0.5341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4039   -2.9375   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -1.5950   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1193   -0.9915   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2746    0.4294   -0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6797    0.6378   -0.9997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2727    1.9070   -1.3674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0284    2.9514   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1663   -3.9097   -2.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
2-{2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-2H,3H,4H,7H,8H,9H-pyrano[2,3-e]isoindol-8-yl}-3-phenylpropanoate	Generator
SMTP 4	MeSH

Chemical Formula

C₃₂H₃₉NO₆

Average Mass

533.6650 Da

Monoisotopic Mass

533.27774 Da

IUPAC Name

(2S)-2-[(2S,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-2H,3H,4H,7H,8H,9H-pyrano[2,3-e]isoindol-8-yl]-3-phenylpropanoic acid

Traditional Name

(2S)-2-[(2S,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3H,4H,9H-pyrano[2,3-e]isoindol-8-yl]-3-phenylpropanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\CCC1(C)OC2=C3CN(C(CC4=CC=CC=C4)C(O)=O)C(=O)C3=CC(O)=C2CC1O

InChI Identifier

InChI=1S/C32H39NO6/c1-20(2)10-8-11-21(3)12-9-15-32(4)28(35)18-24-27(34)17-23-25(29(24)39-32)19-33(30(23)36)26(31(37)38)16-22-13-6-5-7-14-22/h5-7,10,12-14,17,26,28,34-35H,8-9,11,15-16,18-19H2,1-4H3,(H,37,38)/b21-12+

InChI Key

HSOVHMPKFQKPSJ-CIAFOILYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Stachybotrys	NPAtlas	10048563
Stachybotrys microspora	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.9	ALOGPS
logP	5.77	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	3.38	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	107.3 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	152.98 m³·mol⁻¹	ChemAxon
Polarizability	60.38 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA010325

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9975104

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11800434

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hasumi K, Ohyama S, Kohyama T, Ohsaki Y, Takayasu R, Endo A: Isolation of SMTP-3, 4, 5 and -6, novel analogs of staplabin, and their effects on plasminogen activation and fibrinolysis. J Antibiot (Tokyo). 1998 Dec;51(12):1059-68. doi: 10.7164/antibiotics.51.1059. [PubMed:10048563 ]
Velazquez-Mujica J, Losco L, Aksoyler D, Chen HC: Perforator-to-perforator anastomosis as a salvage procedure during harvest of a perforator flap. Arch Plast Surg. 2021 Jul;48(4):467-469. doi: 10.5999/aps.2020.02194. Epub 2021 Jul 15. [PubMed:34352962 ]
Santamaria E, Nahas-Combina L, Altamirano-Arcos C, Vargas-Flores E: Seven steps to deliver a low-cost, efficient, and high-impact online plastic surgery course during COVID-19 confinement: master series microsurgery for residents' experience. Arch Plast Surg. 2021 Jul;48(4):462-466. doi: 10.5999/aps.2021.00360. Epub 2021 Jul 15. [PubMed:34352961 ]
Marchesi A, Garieri P, Amendola F, Marcelli S, Vaienti L: Intraoperative near-infrared spectroscopy for pedicled perforator flaps: a possible tool for the early detection of vascular issues. Arch Plast Surg. 2021 Jul;48(4):457-461. doi: 10.5999/aps.2019.00311. Epub 2021 Jul 15. [PubMed:34352960 ]
Oh D, Son D, Kim J, Kwon SY: Freeze-dried bovine amniotic membrane as a cell delivery scaffold in a porcine model of radiation-induced chronic wounds. Arch Plast Surg. 2021 Jul;48(4):448-456. doi: 10.5999/aps.2020.00997. Epub 2021 Jul 15. [PubMed:34352959 ]

Showing NP-Card for SMTP-4 (NP0023948)

MOL for NP0023948 (SMTP-4)

3D MOL for NP0023948 (SMTP-4)

3D SDF for NP0023948 (SMTP-4)

3D-SDF for NP0023948 (SMTP-4)

PDB for NP0023948 (SMTP-4)

3D PDB for NP0023948 (SMTP-4)

SMILES for NP0023948 (SMTP-4)

INCHI for NP0023948 (SMTP-4)

Structure for NP0023948 (SMTP-4)

3D Structure for NP0023948 (SMTP-4)