Structure Information
Structure

Compound Identification

SMILES

OC1C(O)C(O)C(OC(=O)CC2=CNC3=CC=CC=C23)C(O)C1O

InChIKey

InChIKey=XUACNUJFOIKYPQ-UHFFFAOYSA-N

Formula

C16H19NO7

Mass

337.328

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolyl carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Indole-3-acetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indole-3-acetic acid derivative - 3-alkylindole - Indole - Cyclohexanol - Cyclitol or derivatives - Benzenoid - Substituted pyrrole - Cyclic alcohol - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Polyol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.

External Descriptors

META CYC (CPD-165) : an inositol

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