Structure Information
Structure

Compound Identification

SMILES

[13CH3]O[13C]1=[13C]2[13C]3=[13C]([13C](=O)O[13CH2][13CH2]3)[13C](=O)O[13C]2=[13C]2[13C@@H]3[13CH]=[13CH]O[13C@@H]3O[13C]2=[13CH]1

InChIKey

InChIKey=XWIYFDMXXLINPU-DENWKYDXSA-N

Formula

C17H12O7

Mass

345.146

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Angular furanocoumarins - Aflatoxins

Direct Parent

Difurocoumarolactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Difurocoumarolactone - Benzopyran - 1-benzopyran - Coumaran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Dihydrofuran - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as difurocoumarolactones. These are polycyclic aromatic compounds containing a delta-valerolactone ring fused to the coumarin moiety of the difurocoumarin skeleton.

External Descriptors

Not available

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