Compound Identification
SMILES
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=CC(O)=C([O+]=C12)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=PUUAQFPUOLKBHA-WGLXEVCESA-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
Flavonoid 8-C-glycosides 5-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids Anthocyanidins Phenolic glycosides Hexoses C-glycosyl compounds 1-benzopyrans Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin-8-c-glycoside - Anthocyanin - Flavonoid c-glycoside - Flavonoid-8-c-glycoside - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - 1-benzopyran - Benzopyran - Catechol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Organooxygen compound - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - 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