Compound Identification
SMILES
CCC(C)C(=O)OC1C2C(OC(C)=O)C(OC(=O)C2=C)[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C
InChIKey
InChIKey=BQGGSPCDSKSASO-ZHKLJMJGSA-N
Formula
C22H28O7
Mass
404.459
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
Fatty acid esters Delta valerolactones Oxanes Enoate esters Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tricarboxylic acid or derivatives - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxane - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic 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