Compound Identification
SMILES
[Cl-].OC1=C(O)C(C[NH+]2CCCCC2)=C2OC(=O)C=CC2=C1
InChIKey
InChIKey=UQSIMTCTIRULQB-UHFFFAOYSA-N
Formula
C15H18ClNO4
Mass
311.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
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 Piperidines Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-dihydroxycoumarin - 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Lactone - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic chloride salt - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - 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