Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C[C@H]2[C@@H](C[C@@]3(O)CO[C@@H](O1)C23)OC(=O)C1=CC=C(O)C=C1

InChIKey

InChIKey=ZGEFAWWFLHUTII-CXMSOTGLSA-N

Formula

C16H18O7

Mass

322.313

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Iridoids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Iridoid-skeleton - Benzoate ester - Aromatic monoterpenoid - Furopyran - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

External Descriptors

Not available

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