Structure Information
Structure

Compound Identification

SMILES

[Cl-].CC1=CC(=O)OC2=C(C[NH+](CCO)CCO)C(O)=C(O)C=C12

InChIKey

InChIKey=ROUMMYJFCVVORX-UHFFFAOYSA-N

Formula

C15H20ClNO6

Mass

345.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

6,7-dihydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6,7-dihydroxycoumarin - 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - 1,2-aminoalcohol - Lactone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Oxacycle - Alkanolamine - Organic chloride salt - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Alcohol - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively.

External Descriptors

Not available

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