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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
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
Fatty acid esters Ketals Oxepanes Monosaccharides Alpha hydroxy acids and derivatives 1,3-dioxanes Heteroaromatic compounds Enoate esters Tertiary alcohols Tetrahydrofurans Thiophenes Secondary alcohols Oxacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives
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