Compound Identification
SMILES
CC[C@]1(CC[C@@H](O1)[C@@]1(C)CC[C@]2(C[C@H](OC(=O)C3=CC=CC=C3)[C@@H](C)[C@H](O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@H]1O[C@@H](C[C@@H]1C)[C@H]1O[C@@]2(CO[C@@H](O2)C2=CC=C(OC)C=C2)[C@H](C)C[C@@H]1C
InChIKey
InChIKey=OTQQODMYRTWGRE-YMEVPFRISA-N
Formula
C51H72O13
Mass
893.124
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Ketals Alkyl aryl ethers Oxanes Dicarboxylic acids and derivatives Oxolanes 1,3-dioxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Ketal - Alkyl aryl ether - Oxane - Dicarboxylic acid or derivatives - Meta-dioxolane - Oxolane - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - 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