Compound Identification
SMILES
CC1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C3=C2)C2=CC=C(O)C=C2)[C@@H](O)C(O)[C@H]1O
InChIKey
InChIKey=MIRNSFCHJINZJP-LZUINGQPSA-O
Formula
C27H31O14
Mass
579.53
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
-
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 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glycosyl compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Monosaccharides Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Acetals Polyols Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Flavonoid-3-o-glycoside - 7-hydroxyflavonoid - Hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxane - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - 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 (LMPK12010092) : Anthocyanidins