Compound Identification
SMILES
CC(O)C1=CC(N[C@H]2[C@H](N)[C@@](NC(=O)N(C)C)([C@H](C)O)[C@@](C)(O)[C@@]2(O)COC(=O)C2=C(C)C=CC=C2O)=CC=C1
InChIKey
InChIKey=WQCTUVWPPWAIPL-JSTYOXFRSA-N
Formula
C28H40N4O8
Mass
560.648
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
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Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Aromatic monoterpenoids Iridoids and derivatives Monocyclic monoterpenoids Salicylic acid and derivatives Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Meta cresols Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Toluenes 1-hydroxy-2-unsubstituted benzenoids Cyclopentanols 1,3-aminoalcohols Vinylogous acids Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters 1,2-aminoalcohols Amino acids and derivatives Ureas Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - Monoterpenoid - Salicylic acid or derivatives - M-cresol - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Secondary aliphatic/aromatic amine - Cyclopentanol - 1,3-aminoalcohol - Vinylogous acid - Cyclic alcohol - Tertiary alcohol - Urea - Carbonic acid derivative - 1,2-aminoalcohol - Carboxylic acid ester - Amino acid or derivatives - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available