Compound Identification
SMILES
CC=C(C)C(=O)OC1CC(C)(O)C2(O)CCC(C)(O2)C=C2OC(=O)C(COC(C)=O)=C12
InChIKey
InChIKey=MQNMSVWAHXTXJT-UHFFFAOYSA-N
Formula
C22H28O9
Mass
436.457
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 Butenolides Tetrahydrofurans Tertiary alcohols Enol esters Enoate esters Lactones Hemiacetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tricarboxylic acid or derivatives - Fatty acid ester - 2-furanone - Fatty acyl - Dihydrofuran - Enol ester - Tertiary alcohol - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - 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