Compound Identification
SMILES
COC1=C(OS(O)(=O)=O)C=C2OC(=C(O)C(=O)C2=C1O)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=ZZGGTOGGQXZBDV-UHFFFAOYSA-N
Formula
C16H12O11S
Mass
412.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavones
Intermediate Tree Nodes
Not available
Direct Parent
Flavonols
Alternative Parents
6-O-methylated flavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Chromones Arylsulfates Catechols Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Sulfuric acid monoesters Benzene and substituted derivatives Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-methoxyflavonoid-skeleton - 3-hydroxyflavone - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 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 flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
External Descriptors
LIPIDMAPS (LMPK12113029) : Flavones and Flavonols