Compound Identification
SMILES
OCC1OC(OC2=C(O)C=C(C=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)C(O)C(O)C1O
InChIKey
InChIKey=CSNMEDJMOXSNRZ-UHFFFAOYSA-O
Formula
C21H21O11
Mass
449.387
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
- 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
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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 Hexoses O-glycosyl compounds 1-benzopyrans Phenol ethers Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanin - Anthocyanidin-4p-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Alcohol - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - 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