Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@]1(C)O[C@H]1CC=C(C)C)OC(=O)\C=C\C1=CC(OC)=C(OC)C=C1[N+]([O-])=O

InChIKey

InChIKey=MOATXRJLIVVMDE-JYPFZPABSA-N

Formula

C27H35NO9

Mass

517.575

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Nitrophenyl ether - O-dimethoxybenzene - Dimethoxybenzene - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Organoheterocyclic compound - Oxacycle - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Dialkyl ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Oxirane - Ether - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic cation - 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

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