Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O[C@@H]2OC[C@@H](O)[C@H](O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=QPRUMSQUWSXDAQ-PMXYPJQNSA-O
Formula
C33H41O19
Mass
741.671
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-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
Oligosaccharides Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Anthocyanidins O-glycosyl compounds 1-benzopyrans Methoxyphenols Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oligosaccharide - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Methoxyphenol - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Oxane - Heteroaromatic compound - Secondary alcohol - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen 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 (LMPK12010259) : Anthocyanidins