Compound Identification
SMILES
NC(CO)(CO)CO.CC(C)[C@]12O[C@H]1[C@H]1O[C@@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(O)=O
InChIKey
InChIKey=XASQYTBNKAPQRQ-NUFKFZQYSA-N
Formula
C28H39NO12
Mass
581.615
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 Butenolides Enoate esters Lactones 1,2-aminoalcohols Oxacyclic compounds Epoxides Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - Fatty acid ester - Oxepane - 2-furanone - Fatty acyl - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-aminoalcohol - Carboxylic acid ester - Lactone - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Carbonyl group - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Primary 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