Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1
InChIKey
InChIKey=TXAUQTLUPDFXHV-UHFFFAOYSA-O
Formula
C30H27O13
Mass
595.532
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
- 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 - Flavonoid 3-O-p-coumaroyl glycosides - Anthocyanidin 3-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 3-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Flavonoid-3-O-glycosides 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Pentoses Methoxyphenols Styrenes Phenoxy compounds Catechols Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxolanes Heteroaromatic compounds Enoate esters Secondary alcohols 1,2-diols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 3-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Benzopyran - Methoxyphenol - 1-benzopyran - Pentose monosaccharide - Phenoxy compound - Catechol - Methoxybenzene - Anisole - Styrene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Carboxylic acid ester - 1,2-diol - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. These are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.
External Descriptors
Not available