Compound Identification
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)[C@@H]3OC(C)(C)O[C@@H]3C3=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C4=CC=CC=C4)[C@H]21)C3(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=NC=C1
InChIKey
InChIKey=NYMOLUOUQXLCDM-JWCATWPVSA-N
Formula
C45H58N2O14
Mass
850.959
Taxonomic Classification
Taxonomy Tree
-
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 Ketals Pyridines and derivatives Monosaccharides Tertiary alcohols 1,3-dioxolanes Carbamate esters Heteroaromatic compounds Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Organic carbonic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Ketal - Fatty acid ester - Monosaccharide - Pyridine - Fatty acyl - Meta-dioxolane - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Oxetane - Secondary alcohol - Organoheterocyclic compound - Azacycle - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - 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