Compound Identification
SMILES
COC1=CC2=[O+]C(=C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C=C2C(O)=C1)C1=CC(OC)=C(O)C(OC)=C1
InChIKey
InChIKey=HOQYXINLVDTZAR-WXWBQYTQSA-O
Formula
C24H27O12
Mass
507.467
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
-
Level 5
Flavonoid O-glycosides
-
Level 6
Anthocyanins
- Level 7 Anthocyanidin-3-O-glycosides
-
Level 6
Anthocyanins
-
Level 5
Flavonoid O-glycosides
-
Subclass
Flavonoid glycosides
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Anthocyanins
Direct Parent
Anthocyanidin-3-O-glycosides
Alternative Parents
Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 7-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Anthocyanidins Hexoses O-glycosyl compounds 1-benzopyrans Dimethoxybenzenes Methoxyphenols Anisoles Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Anthocyanidin - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - Methoxyphenol - M-dimethoxybenzene - 1-benzopyran - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Oxane - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Ether - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.
External Descriptors
LIPIDMAPS (LMPK12010420) : Anthocyanidins