NP-MRD: Showing NP-Card for 3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione (NP0308955)

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Record Information

Version

1.0

Created at

2022-09-11 03:09:33 UTC

Updated at

2022-09-11 03:09:33 UTC

NP-MRD ID

NP0308955

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione

Description

3',4',5',7-Tetrahydroxy-5-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5,6,7-tetrahydro-3H-spiro[1-benzofuran-2,2'-oxane]-4,6-dione belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. 3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione is found in Carthamus tinctorius. 3',4',5',7-Tetrahydroxy-5-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5,6,7-tetrahydro-3H-spiro[1-benzofuran-2,2'-oxane]-4,6-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191518162D          

 42 46  0  0  0  0            999 V2000
    9.3002    1.4397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7682    2.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1109    3.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8288    4.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9234    3.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537    3.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 41 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004191518162D          

 42 46  0  0  0  0            999 V2000
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    6.3325   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3325   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6180    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8334    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8334   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485    1.8414    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  4  0  0  0
 17 19  1  0  0  0  0
 19 20  2  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
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 12 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 33 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0308955

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(C(O)C(O)C1O)C1(O)C2=C(CC3(O2)OCC(O)C(O)C3O)C(=O)C(=C(O)\C=C\C2=CC=C(O)C=C2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O15/c28-8-15-19(34)20(35)21(36)25(41-15)27(39)22(37)16(13(30)6-3-10-1-4-11(29)5-2-10)17(32)12-7-26(42-24(12)27)23(38)18(33)14(31)9-40-26/h1-6,14-15,18-21,23,25,28-31,33-36,38-39H,7-9H2/b6-3+,16-13?

> <INCHI_KEY>
AVPPNNSAJQMDDN-MHXOOGSXSA-N

> <FORMULA>
C27H30O15

> <MOLECULAR_WEIGHT>
594.522

> <EXACT_MASS>
594.158470266

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
57.056509835837375

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3',4',5',7-tetrahydroxy-5-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5,6,7-tetrahydro-3H-spiro[1-benzofuran-2,2'-oxane]-4,6-dione

> <ALOGPS_LOGP>
-1.06

> <JCHEM_LOGP>
-3.3073128233333327

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.692831325317195

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.352964121791703

> <JCHEM_PKA_STRONGEST_BASIC>
-3.644280715540548

> <JCHEM_POLAR_SURFACE_AREA>
264.12999999999994

> <JCHEM_REFRACTIVITY>
139.4563

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.77e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3',4',5',7-tetrahydroxy-5-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-spiro[1-benzofuran-2,2'-oxane]-4,6-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  O   UNK     0      17.360   2.687   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      16.834   4.135   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.317   4.402   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      14.327   3.222   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      12.811   3.490   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.284   4.937   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.767   5.204   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      13.274   6.117   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.747   7.564   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      14.790   5.849   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      15.780   7.029   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.821   2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      10.831   3.490   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      13.154   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      14.488   2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      13.154   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.488  -0.770   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      14.488  -2.310   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      15.822   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.155  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      18.489  -0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      18.489   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      19.823   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.156   1.540   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      22.490   2.310   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      21.156  -0.000   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.823  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.821  -0.770   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      11.821  -2.310   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      10.487   0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.487   1.540   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.022   2.016   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       8.117   0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.022  -0.476   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.347  -0.564   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       5.807  -0.564   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.037   0.770   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.497   0.770   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       5.807   2.104   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.037   3.437   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       7.347   2.104   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       8.117   3.437   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8    3   11                                                  
CONECT   11   10                                                            
CONECT   12    5   13   14   31                                             
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   28                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   21                                                       
CONECT   28   16   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   34                                                  
CONECT   31   30   12   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35   41                                             
CONECT   34   33   30                                                       
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   33   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₅

Average Mass

594.5220 Da

Monoisotopic Mass

594.15847 Da

IUPAC Name

3',4',5',7-tetrahydroxy-5-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5,6,7-tetrahydro-3H-spiro[1-benzofuran-2,2'-oxane]-4,6-dione

Traditional Name

3',4',5',7-tetrahydroxy-5-[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-spiro[1-benzofuran-2,2'-oxane]-4,6-dione

CAS Registry Number

Not Available

SMILES

OCC1OC(C(O)C(O)C1O)C1(O)C2=C(CC3(O2)OCC(O)C(O)C3O)C(=O)C(=C(O)\C=C\C2=CC=C(O)C=C2)C1=O

InChI Identifier

InChI=1S/C27H30O15/c28-8-15-19(34)20(35)21(36)25(41-15)27(39)22(37)16(13(30)6-3-10-1-4-11(29)5-2-10)17(32)12-7-26(42-24(12)27)23(38)18(33)14(31)9-40-26/h1-6,14-15,18-21,23,25,28-31,33-36,38-39H,7-9H2/b6-3+,16-13?

InChI Key

AVPPNNSAJQMDDN-MHXOOGSXSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Carthamus tinctorius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

Disaccharide
C-glycosyl compound
Benzofuran
Styrene
Quinomethane
O-quinomethane
1-hydroxy-2-unsubstituted benzenoid
Ketal
Cyclohexenone
Phenol
Benzenoid
Oxane
Monocyclic benzene moiety
Acyloin
Vinylogous ester
Vinylogous acid
Tertiary alcohol
Dihydrofuran
Cyclic ketone
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Enol
Dialkyl ether
Acetal
Organic oxide
Hydrocarbon derivative
Primary alcohol
Carbonyl group
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	-1.1	ALOGPS
logP	-3.3	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	3.35	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	264.13 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	139.46 m³·mol⁻¹	ChemAxon
Polarizability	57.06 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione (NP0308955)

MOL for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

3D MOL for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

3D SDF for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

3D-SDF for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

PDB for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

3D PDB for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

SMILES for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

INCHI for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

Structure for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)

3D Structure for NP0308955 (3',4',5',7-tetrahydroxy-5-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3h-spiro[1-benzofuran-2,2'-oxane]-4,6-dione)