Compound Identification
SMILES
COC1=C(OC)C(O)=C2C(=O)C(OS(O)(=O)=O)=C(OC2=C1)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=QQCSAEOGQYIIMB-UHFFFAOYSA-N
Formula
C17H14O11S
Mass
426.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 7-O-methylated flavonoids
-
Subclass
O-methylated flavonoids
-
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
7-O-methylated flavonoids
Alternative Parents
6-O-methylated flavonoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones Chromones Arylsulfates Anisoles Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Benzene and substituted derivatives Sulfuric acid monoesters Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Arylsulfate - Benzopyran - 1-benzopyran - Anisole - Catechol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Sulfuric acid monoester - Pyran - Sulfate-ester - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Heteroaromatic compound - Vinylogous acid - Organic sulfuric acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
External Descriptors
LIPIDMAPS (LMPK12113031) : Flavones and Flavonols