Compound Identification
SMILES
CCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)CC3=CC=CC=C3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
InChIKey
InChIKey=CLRGPOUAIAOHLF-QLDSPVDESA-N
Formula
C28H34O14
Mass
594.566
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
Phenylpropanes Oxepanes Ketals Monosaccharides Alpha hydroxy acids and derivatives 1,3-dioxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pentacarboxylic acid or derivatives - Phenylpropane - Oxepane - Ketal - Meta-dioxane - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Benzenoid - Tertiary alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Alcohol - 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