Compound Identification
SMILES
[Cl-].COC1=CC(=CC(OC)=C1O)C1=C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C2C(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)[C@H]3O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=RHKJIVJBQJXLBY-KZQMINNISA-N
Formula
C29H35ClO17
Mass
691.03
Taxonomic Classification
Taxonomy Tree
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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
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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 3'-O-methylated flavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds Methoxyphenols Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Organic zwitterions Organic chloride salts Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Benzopyran - 1-benzopyran - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Ether - Organic zwitterion - Organic salt - Organic oxygen compound - Organic chloride salt - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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
Not available