Compound Identification
SMILES
[H][C@]1(CO)O[C@]([H])(OC2=CC(O)=C3C(=O)C4=C(OC5=CC(O)=C(OC)C=C45)OC3=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=VVSJHRJAOJYBFU-PQUJRUFESA-N
Formula
C22H20O12
Mass
476.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Coumaronochromenes Phenolic glycosides Hexoses Chromones Coumarins and derivatives O-glycosyl compounds Benzofurans Furopyrans Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Oxanes Heteroaromatic compounds Furans Vinylogous acids Secondary alcohols Polyols Acetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Coumaronochromene - Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Chromone - Coumarin - Glycosyl compound - Benzopyran - 1-benzopyran - Benzofuran - Furopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Oxane - Monosaccharide - Pyran - Benzenoid - Heteroaromatic compound - Furan - Vinylogous acid - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available