Structure Information
Structure

Compound Identification

SMILES

NC1=NN=C2N=C(C(C(=O)C=CC3=CC(O)=CC=C3)C3=NC4=NN=C(N)N4NC3=O)C(=O)NN12

InChIKey

InChIKey=WIWXNBOJAGXQBM-UHFFFAOYSA-N

Formula

C18H14N12O4

Mass

462.39

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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

Hydroxycinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hydroxycinnamic acid or derivatives - Styrene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Azole - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - 1,2,4-triazole - Acryloyl-group - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

External Descriptors

Not available

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