Compound Identification
SMILES
C[C@@H]1[C@@H](OC(=O)C2=CC=CC=C2)C2(OC3(OC2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C=C[C@@]4(C)C12O3)C1=CC=CC=C1)C(C)=C
InChIKey
InChIKey=IITWGWGDYGYXJG-XPVOXCTNSA-N
Formula
C34H34O10
Mass
602.636
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
Benzoyl derivatives 1,3-dioxepanes Ortho esters Carboxylic acid orthoesters 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Carboxylic acid orthoester - Dioxepane - Ortho ester - 1,3-dioxepane - Meta-dioxane - Cyclic alcohol - Tertiary alcohol - Meta-dioxolane - Secondary alcohol - Orthocarboxylic acid derivative - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - 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