Compound Identification
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@@H](F)[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=PXLSHEMOQCQUQY-CCTZBENOSA-N
Formula
C45H57FN2O13
Mass
852.95
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
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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 Organic carbonic acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Ketal - Fatty acid ester - Monosaccharide - Fatty acyl - Pyridine - Meta-dioxolane - Heteroaromatic compound - Carbamic acid ester - Tertiary alcohol - Carboxylic acid ester - Carbonic acid derivative - Oxetane - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alkyl fluoride - Alcohol - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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