Compound Identification
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](C[C@@](O)(C4(C[C@@]214)OC(=O)c1ccccc1)C3(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIKey
InChIKey=GFUTZSQVOKEPGQ-CBCAAPNVSA-N
Formula
C44H53NO14
Mass
819.901
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Tricarboxylic acids and derivatives Benzoyl derivatives Fatty acid esters Monosaccharides Tertiary alcohols Carbamate esters Secondary alcohols Oxetanes Organic carbonic acids and derivatives Ketones Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Fatty acid ester - Fatty acyl - Monosaccharide - Carbamic acid ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxetane - Carbonic acid derivative - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available