Trioxsalen

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Systematic / IUPAC Name: 2,5,9-Trimethyl-7H-furo[3,2-g]chromen-7-one

ID: Reference3489

Other Names: Trioxalen;
Trioxisaleno;
Trioxsalin;
Trioxysalen;
Trioxysalene ; more

Formula: C14H12O3

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Natural Products/Medicines

Spectral Data

Trioxsalen 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
No. of Spectral Trees 1
No. of Spectra 1413
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/14/2015 10:46:00 AM
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Identificators

InChI InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChI Key FMHHVULEAZTJMA-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C
CAS 3902714
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Other Names Trioxalen;
Trioxisaleno;
Trioxsalin;
Trioxysalen;
Trioxysalene;
Trioxysalenum;
Trisoralen;
Trixsalen;
2',4,8-Trimethylpsoralen;
2,5,9-Trimethyl-7H-furo[3,2-g][1]benzopyran-7-one ;
2,5,9-Trimethylfuro[3,2-g]benzopyran-7-one;
2,5,9-Trimethylfuro[3,2-g]chromen-7-one;
4,5,8-Trimethylpsoralen;
4,5',8-Trimethylpsoralen;
4,5',8-Trimethylpsoralene;
4,7,9-Trimethylfurano[3,2-g]chromen-2-one;
4,8,5'-Trimethylpsoralen;
6-Hydroxy-β,2,7-trimethyl-5-benzofuranacrylic acid γ-lactone;
6-Hydroxy-β,2,7-trimethyl-5-benzofuranacrylic acid, δ-lactone;
7H-Furo[3,2-g][1]benzopyran-7-one, 2,5,9-trimethyl-;
7-Oxo-2,5,9-trimethyl-7H-furo[3,2-g][1]benzopyron ;
Trimethylpsoralen

In Other Databases

DrugBank DB04571
PubChem 5585
HMDb HMDB15575
ChemIDPlus 003902714
ChemSpider 5383
KEGG C09314; D01034
ChEBI CHEBI:28329
Wikipedia Trioxsalen