Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.COC1=CC(=CC(OC)=C1O)C1=C(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=C(C(C)C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC(O)=C(O)C=C3)C2=[O+]1
InChIKey
InChIKey=YRQLSCSPCGFJIV-JQSOIEBDSA-N
Formula
C42H41F3O20
Mass
922.765
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
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Level 6
Anthocyanins
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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 Catechins 3'-O-methylated flavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Hexoses O-glycosyl compounds Methoxyphenols Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Catechols 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxanes Heteroaromatic compounds Alpha-halocarboxylic acids Secondary alcohols Carboxylic acid salts Carboxylic acids Polyols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Primary alcohols Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Catechin - 3p-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Anthocyanidin - Flavan - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - M-dimethoxybenzene - 1-benzopyran - Dimethoxybenzene - Methoxyphenol - Benzopyran - Chromane - Catechol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Acetal - Oxacycle - Polyol - Carbonyl group - Organooxygen compound - Organic zwitterion - Alkyl halide - Alkyl fluoride - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - 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
Not available