Compound Identification
SMILES
CC1(C)O[C@H]2O[C@H]([C@H](O)[C@H]3O[C@H](COC(=O)C4=CC=CC=C4)[C@@H](OC(=O)C4=CC=CC=C4)[C@H](OC(=O)C4=CC=CC=C4)C3=O)[C@H](OCC3=CC=CC=C3)[C@H]2O1
InChIKey
InChIKey=PKTUGKQFFFLELQ-AVFHDZSRSA-N
Formula
C42H40O13
Mass
752.769
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 Benzylethers Benzoyl derivatives Ketals Oxanes Monosaccharides 1,3-dioxolanes Oxolanes Cyclic ketones Carboxylic acid esters Secondary alcohols Dialkyl ethers Oxacyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzylether - Tricarboxylic acid or derivatives - Benzoyl - Ketal - Oxane - Monosaccharide - Meta-dioxolane - Oxolane - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Alcohol - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen 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