Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)CC3=CSC=C3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

InChIKey

InChIKey=NVWQZLVNFURAMQ-OVVVPSEISA-N

Formula

C33H44O14S

Mass

696.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Pentacarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pentacarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pentacarboxylic acid or derivatives - Ketal - Fatty acid ester - Oxepane - Meta-dioxane - Alpha-hydroxy acid - Hydroxy acid - Fatty acyl - Monosaccharide - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Acetal - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.

External Descriptors

Not available

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