Compound Identification
SMILES
OC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=DGJSSBCAHRQASY-UHFFFAOYSA-N
Formula
C19H14O11
Mass
418.31
Taxonomic Classification
Taxonomy Tree
-
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
Hydroxyisoflavonoids Phenoxyacetic acid derivatives Chromones Sugar acids and derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Vinylogous acids Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Phenoxyacetate - Chromone - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Pyranone - Sugar acid - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - 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