Compound Identification
SMILES
CCCCCC(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@@]2(C)[C@H]([C@H]1C)[C@H](O)[C@]1(O)[C@@H](C)C(=O)O[C@H]1[C@@H](Cl)C(=C)\C=C/[C@@H]2OC(C)=O
InChIKey
InChIKey=ZHRQZDUCHNCZES-FFZNZPEOSA-N
Formula
C28H39ClO9
Mass
555.06
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
Oxepanes Fatty acid esters Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Secondary alcohols 1,2-diols Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Epoxides Alkyl chlorides Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tricarboxylic acid or derivatives - Fatty acid ester - Oxepane - Gamma butyrolactone - Fatty acyl - Tertiary alcohol - Tetrahydrofuran - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Ether - Oxirane - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - 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
LIPIDMAPS (LMPR0104230003) : Briarane diterpenoids