Compound Identification
SMILES
COC1=C(OS(O)(=O)=O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1
InChIKey
InChIKey=WONZXVKRFAHSAK-UHFFFAOYSA-N
Formula
C16H12O9S
Mass
380.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
O-methylated flavonoids
- Level 5 6-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
6-O-methylated flavonoids
Alternative Parents
4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones Chromones Arylsulfates Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Sulfuric acid monoesters Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Arylsulfate - Benzopyran - 1-benzopyran - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Sulfuric acid ester - Benzenoid - Sulfate-ester - Sulfuric acid monoester - Pyran - Monocyclic benzene moiety - Vinylogous acid - Organic sulfuric acid or derivatives - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone.
External Descriptors
LIPIDMAPS (LMPK12111171) : Flavones and Flavonols