Compound Identification
SMILES
COC1=CC(=O)C(=CC1=O)C1=COC2=C(C=CC(O)=C2)C1(O)CC(O)=O
InChIKey
InChIKey=HYHOPIGIRRMQAI-UHFFFAOYSA-N
Formula
C18H14O8
Mass
358.302
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
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Level 5
Isoflavones
- Level 6 Isoflavonequinones
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Level 5
Isoflavones
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Subclass
Isoflav-2-enes
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Isoflavones
Direct Parent
Isoflavonequinones
Alternative Parents
1-benzopyrans P-benzoquinones 1-hydroxy-2-unsubstituted benzenoids Vinylogous esters Tertiary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonequinone - Benzopyran - 1-benzopyran - P-benzoquinone - Quinone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Tertiary alcohol - Vinylogous ester - Ketone - Cyclic ketone - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavonequinones. These are isoflavones where the phenyl group carries two C=O groups at position 1 and 4, respectively.
External Descriptors
Not available