Structure Information
Structure

Compound Identification

SMILES

CC(C)(O[C@@H]1O[C@@H](COC(=O)CC([O-])=O)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC2=C(O1)C=C1OC(=O)C=CC1=C2

InChIKey

InChIKey=WCCYTCGZOYIMHV-YAFPKGRUSA-M

Formula

C23H25O12

Mass

493.442

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Linear furanocoumarins

Direct Parent

Psoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Psoralen - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Pyranone - Dicarboxylic acid or derivatives - Monosaccharide - Benzenoid - 1,3-dicarbonyl compound - Oxane - Pyran - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid salt - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

External Descriptors

Not available

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