Compound Identification
SMILES
OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@H](OC(=O)\C=C\C4=CC(O)=C(O)C=C4)OC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=JZAJSJKWOPTXFR-JOWODZTASA-N
Formula
C25H28O13
Mass
536.486
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters Hexoses O-glycosyl compounds Catechols Styrenes 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Delta valerolactones 1-hydroxy-2-unsubstituted benzenoids Acylals Oxanes Dicarboxylic acids and derivatives Enoate esters Vinylogous esters Secondary alcohols Oxacyclic compounds Polyols Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Delta valerolactone - Fatty acid ester - Acylal - Delta_valerolactone - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Monosaccharide - Benzenoid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available