Compound Identification
SMILES
COC1=C(OC(=O)NCC(CC(C)C)CC(O)=O)C=CC(\C=C\C(=O)OCCCCO[N+]([O-])=O)=C1
InChIKey
InChIKey=IWIRARLISWGEDD-VQHVLOKHSA-N
Formula
C23H32N2O10
Mass
496.513
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 Gamma amino acids and derivatives Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fatty acid esters Dicarboxylic acids and derivatives Alkyl nitrates Carbamate esters Enoate esters Organic nitro compounds Organic nitric acids and derivatives Carboxylic acids Organic salts Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Gamma amino acid or derivatives - Cinnamic acid ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Enoate ester - Carbamic acid ester - Alpha,beta-unsaturated carboxylic ester - Alkyl nitrate - Organic nitrate - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic 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