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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Hydroxycoumarins
- Level 5 6,7-dihydroxycoumarins
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Subclass
Hydroxycoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
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
7-hydroxycoumarins 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Quaternary ammonium salts Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Lactones Oxacyclic compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions Primary alcohols
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