7-Hydroxycoumarine

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Systematic / IUPAC Name: 7-Hydroxy-2H-chromen-2-one

ID: Reference1341

Other Names: 2H-1-Benzopyran-2-one, 7-hydroxy-;
Coumarin, 7-hydroxy-;
7-Hydroxy-2H-1-benzopyran-2-one;
7-Hydroxy-2-chromenone;
Umbelliferone ; more

Formula: C9H6O3

Class: Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

7-Hydroxycoumarine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 338
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 12/4/2014 9:23:17 AM
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Identificators

InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC2=C1C=CC(=O)O2)O
CAS 93356
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Other Names 2H-1-Benzopyran-2-one, 7-hydroxy-;
Coumarin, 7-hydroxy-;
7-Hydroxy-2H-1-benzopyran-2-one;
7-Hydroxy-2-chromenone;
Umbelliferone;
Hydrangine;
Skimmetine

In Other Databases

ChEBI CHEBI:27510
Wikipedia Umbelliferone
ChEMBL CHEMBL51628
PubChem 5281426
HMDb HMDB29865
KEGG C09315
ChemSpider 4444774
ChemIDPlus 000093356