Compound Identification
SMILES
CC1=CC2=C(C=C1)C(COC(=O)C=CC1=CC3=C(OCO3)C=C1)=CC(=O)O2
InChIKey
InChIKey=OJPPNEANLOKLMC-UHFFFAOYSA-N
Formula
C21H16O6
Mass
364.353
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
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 Coumarins and derivatives 1-benzopyrans Benzodioxoles Styrenes Pyranones and derivatives Fatty acid esters Enoate esters Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Styrene - Fatty acid ester - Pyranone - Fatty acyl - Pyran - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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