Compound Identification
SMILES
CC(=O)OCC1=CC2=C(OC1=O)C1=C(OC(C)(C)[C@H](OC(=O)C34CCC(C)(C(=O)O3)C4(C)C)[C@@H]1OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C=C2
InChIKey
InChIKey=ZUQUAVHGVIGAMF-QBCRKNNNSA-N
Formula
C37H42O13
Mass
694.73
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
Angular pyranocoumarins Pyranochromenes 2,2-dimethyl-1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Delta valerolactones Oxanes Benzenoids Gamma butyrolactones Tetrahydrofurans Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pentacarboxylic acid or derivatives - Pyranocoumarin - Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Coumarin - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Delta valerolactone - Delta_valerolactone - Pyranone - Pyran - Benzenoid - Oxane - Gamma butyrolactone - Heteroaromatic compound - Tetrahydrofuran - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - 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