Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)[C@H](O)[C@H](O)[C@@H]1O
InChIKey
InChIKey=CSNMEDJMOXSNRZ-DRJBRKBZSA-O
Formula
C21H21O11
Mass
449.387
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 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
Direct Parent
Anthocyanins
Alternative Parents
Anthocyanin-4'-O-glycosides 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides Hexoses Alkyl glycosides O-glycosyl compounds 1-benzopyrans Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Acetals Oxacyclic compounds Polyols Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanin - Anthocyanidin-4p-o-glycoside - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - Anthocyanidin - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Alkyl glycoside - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Monosaccharide - Oxane - Heteroaromatic compound - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Primary alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanins. These are organic compounds containing a flavylium ion or 2-phenylchromenylium based skeleton bound to a sugar.
External Descriptors
Not available