NP-MRD: Showing NP-Card for (2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one (NP0233275)

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Record Information

Version

2.0

Created at

2022-09-06 14:48:56 UTC

Updated at

2022-09-06 14:48:56 UTC

NP-MRD ID

NP0233275

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one

Description

(2S,7R)-2,12-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]Trideca-1(9),3,10,12-tetraen-5-one belongs to the class of organic compounds known as furanoflavonoids and dihydrofuranoflavonoids. These are flavonoids possessing a furan (or dihydrofuran) ring fused to the benzopyran moiety of the flavonoid skeleton. (2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one is found in Hypnum cupressiforme. Based on a literature review very few articles have been published on (2S,7R)-2,12-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]Trideca-1(9),3,10,12-tetraen-5-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062216482D          

 42 48  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309062216482D          

 42 48  0  0  1  0            999 V2000
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    4.4675   -2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154   -2.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -3.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736   -2.5862    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9666   -2.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  6  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 23 35  1  0  0  0  0
 35 36  1  1  0  0  0
 22 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 20 39  1  0  0  0  0
 39 40  1  0  0  0  0
 41 40  1  6  0  0  0
  5 41  1  0  0  0  0
 41 42  1  0  0  0  0
  2 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0233275

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C2O[C@@H]3CC(=O)C=C[C@]3([C@@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@@H]3O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H22O12/c31-12-3-4-30(29-27(39)25(37)23-17(35)7-14(33)9-20(23)42-29)15-5-11(1-2-18(15)40-21(30)10-12)28-26(38)24(36)22-16(34)6-13(32)8-19(22)41-28/h1-9,21,26-29,32-35,38-39H,10H2/t21-,26+,27+,28+,29-,30+/m1/s1

> <INCHI_KEY>
HYVXHSSJVFRMAO-SCWLKZEGSA-N

> <FORMULA>
C30H22O12

> <MOLECULAR_WEIGHT>
574.494

> <EXACT_MASS>
574.111126148

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
53.395453888660995

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,7R)-2,12-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

> <JCHEM_LOGP>
2.8800069406666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.04184464993705

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.4597320339338475

> <JCHEM_PKA_STRONGEST_BASIC>
-4.014200326601299

> <JCHEM_POLAR_SURFACE_AREA>
200.27999999999997

> <JCHEM_REFRACTIVITY>
142.15979999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,7R)-2,12-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  O   UNK     0      -0.732  -4.324   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.774  -4.003   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.250  -2.539   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.756  -2.219   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.787  -3.363   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.413  -1.956   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.508  -0.710   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.134   0.697   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.229   1.942   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.855   3.349   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.950   4.595   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.387   3.510   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.292   2.264   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.824   2.425   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.666   0.858   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.571  -0.388   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.715   0.642   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.945  -1.795   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.485  -1.795   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.327  -3.363   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.357  -2.219   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.863  -2.539   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.894  -1.394   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.400  -1.715   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      11.431  -0.570   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.937  -0.890   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.967   0.254   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      15.474  -0.066   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      13.492   1.719   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.985   2.039   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      11.509   3.504   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.955   0.895   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.448   1.215   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.973   2.679   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       8.418   0.070   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       7.792   1.477   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       8.339  -4.003   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.309  -5.148   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.802  -4.828   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       4.557  -5.733   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       3.311  -4.828   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       1.804  -5.148   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   20   41                                             
CONECT    6    5    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   15                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    8   16                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    6   19                                                  
CONECT   19   18                                                            
CONECT   20    5   21   39                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   37                                                  
CONECT   23   22   24   35                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   32                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   25   33                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   23   36                                                  
CONECT   36   35                                                            
CONECT   37   22   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   20   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40    5   42                                                  
CONECT   42   41    2                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₂O₁₂

Average Mass

574.4940 Da

Monoisotopic Mass

574.11113 Da

IUPAC Name

(2S,7R)-2,12-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

Traditional Name

(2S,7R)-2,12-bis[(2S,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C2O[C@@H]3CC(=O)C=C[C@]3([C@@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@@H]3O)C2=C1

InChI Identifier

InChI=1S/C30H22O12/c31-12-3-4-30(29-27(39)25(37)23-17(35)7-14(33)9-20(23)42-29)15-5-11(1-2-18(15)40-21(30)10-12)28-26(38)24(36)22-16(34)6-13(32)8-19(22)41-28/h1-9,21,26-29,32-35,38-39H,10H2/t21-,26+,27+,28+,29-,30+/m1/s1

InChI Key

HYVXHSSJVFRMAO-SCWLKZEGSA-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
Hypnum cupressiforme	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furanoflavonoids and dihydrofuranoflavonoids. These are flavonoids possessing a furan (or dihydrofuran) ring fused to the benzopyran moiety of the flavonoid skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Furanoflavonoids and dihydrofuranoflavonoids

Direct Parent

Furanoflavonoids and dihydrofuranoflavonoids

Alternative Parents

Substituents

Furanoflavonoid or dihydroflavonoid
Flavanone
Flavanonol
Hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
3-hydroxyflavonoid
Flavan
Chromone
Chromane
Benzopyran
1-benzopyran
Coumaran
Aryl alkyl ketone
Aryl ketone
1-hydroxy-2-unsubstituted benzenoid
Cyclohexenone
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Vinylogous acid
Secondary alcohol
Cyclic ketone
Ketone
Polyol
Ether
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Carbonyl group
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
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	2.88	ChemAxon
pKa (Strongest Acidic)	7.46	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	200.28 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	142.16 m³·mol⁻¹	ChemAxon
Polarizability	53.4 Å³	ChemAxon
Number of Rings	7	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

162876882

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one (NP0233275)

MOL for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D MOL for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D SDF for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D-SDF for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

PDB for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D PDB for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

SMILES for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

INCHI for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

Structure for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D Structure for NP0233275 ((2s,7r)-2,12-bis[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)