Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]12O[C@@H]1C[C@@]1(O)[C@H]3[C@@H]([C@@H](O)[C@H](OC3=O)[C@@]21C)C(C)=C

InChIKey

InChIKey=FBDLPHODDMIQGI-IVFUWNIESA-N

Formula

C16H20O7

Mass

324.329

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Pyrans Oxirane carboxylic acids Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Methyl esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Delta_valerolactone - Delta valerolactone - Pyran - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Oxane - Dicarboxylic acid or derivatives - Methyl ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

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