Structure Information
Structure

Compound Identification

SMILES

COc1cc(O)cc(C)c1Cc1oc(CC(C)O)cc1C(O)=O

InChIKey

InChIKey=UNORTMJWWJQZKM-UHFFFAOYSA-N

Formula

C17H20O6

Mass

320.341

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acids and conjugates

Intermediate Tree Nodes

Heterocyclic fatty acids - Furanoid fatty acids

Direct Parent

Urofuranic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Urofuranic acid - Methoxyphenol - Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - M-cresol - Furoic acid - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Hydroxy fatty acid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as urofuranic acids. These are fatty acids structurally characterized by the presence of a furanoid ring substituted at the positions 1, 2, 3, and 4 by a short fatty acid chain, a carboxylic acid group, a methyl group, and an alkyl chain, respectively.

External Descriptors

Not available

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