Compound Identification
SMILES
OCC1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4OC(COC(=O)CCC(O)=O)[C@@H](O)C(O)C4O)C=C23)C2=CC=C(O)C=C2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=WEDQIJAUFIWMNC-AQEAGXJDSA-O
Formula
C31H35O18
Mass
695.602
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavonoid glycosides
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Level 5
Flavonoid O-glycosides
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Level 6
Anthocyanins
- Level 7 Anthocyanidin-5-O-glycosides
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Level 6
Anthocyanins
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Level 5
Flavonoid O-glycosides
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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-5-O-glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides Saccharolipids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Oxanes Monosaccharides Dicarboxylic acids and derivatives Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Polyols Carboxylic acids Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Saccharolipid - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Dicarboxylic acid or derivatives - Fatty acyl - Monosaccharide - Monocyclic benzene moiety - Oxane - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Organoheterocyclic compound - Polyol - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position.
External Descriptors
LIPIDMAPS (LMPK12010040) : Anthocyanidins