Compound Identification
SMILES
[Na+].COC1=C(O)C=C2OC=C(C(=O)C2=C1O)C1=CC(=C(O)C=C1)S([O-])(=O)=O
InChIKey
InChIKey=HTQBVSXOJWIXNI-UHFFFAOYSA-M
Formula
C16H11NaO9S
Mass
402.3
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
Hydroxyisoflavonoids Chromones Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Sulfonyls Organosulfonic acids Heteroaromatic compounds Oxacyclic compounds Organic sodium salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Chromone - Benzenesulfonate - 1-benzopyran - Benzopyran - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Oxacycle - Organic alkali metal salt - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic sodium salt - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic cation - 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