Compound Identification
SMILES
COC1=CC(C=CC(=O)OC2OC(CO)C(O)C(O)C2OC(=O)C=CC2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O
InChIKey
InChIKey=KQDOTXAUJBODDM-UHFFFAOYSA-N
Formula
C28H32O14
Mass
592.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Level 5
Hydroxycinnamic acid esters
- Level 6 Hydroxycinnamic acid glycosides
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Level 5
Hydroxycinnamic acid esters
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Hydroxycinnamic acid esters
Direct Parent
Hydroxycinnamic acid glycosides
Alternative Parents
O-cinnamoyl glycosides Coumaric acids and derivatives Hexoses Dimethoxybenzenes Methoxyphenols Styrenes Anisoles Phenoxy compounds Alkyl aryl ethers Fatty acid esters Oxanes Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Oxacyclic compounds Acetals Carbonyl compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxycinnamic acid glycoside - O-cinnamoyl glycoside - Coumaric acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Phenol - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Primary alcohol - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives.
External Descriptors
META CYC (12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE) : a small molecule