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]([C@H](C)CC3=CC=CC=C3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C1=CSC(C)=N1)C(O)=O
InChIKey
InChIKey=BAEPUXWUXABLFE-RGIDJPDKSA-N
Formula
C38H49NO11S
Mass
727.87
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
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Phenylpropanes Oxepanes 2,4-disubstituted thiazoles Ketals Fatty acid esters 1,3-dioxanes Alpha hydroxy acids and derivatives Monosaccharides Tertiary alcohols Oxolanes Enoate esters Heteroaromatic compounds Secondary alcohols Ketones Oxacyclic compounds Azacyclic compounds Carboxylic acids Organopnictogen compounds Organonitrogen compounds Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpropane - Tricarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Ketal - Oxepane - Fatty acid ester - Meta-dioxane - Alpha-hydroxy acid - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Hydroxy acid - Benzenoid - Azole - Heteroaromatic compound - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Thiazole - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Acetal - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Aldehyde - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available