Compound Identification
SMILES
C\C=C/[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC3=CC=CC=C3)C3[C@@]4(COC4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
InChIKey
InChIKey=SRFUTTYRAGMHTI-ZQQSQTNHSA-N
Formula
C42H53NO16
Mass
827.877
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Carbonic acid diesters Monosaccharides 1,3-dioxolanes Carbamate esters Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tricarboxylic acid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Alpha-acyloxy ketone - Fatty acid ester - Fatty acyl - Monosaccharide - Benzenoid - Carbonic acid diester - Monocyclic benzene moiety - Cyclic alcohol - Carbamic acid ester - Meta-dioxolane - Ketone - Carbonic acid derivative - Secondary alcohol - Oxetane - Carboxylic acid ester - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic 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