EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175421 - Triphasiol

ChEBI IDCHEBI:175421
ChEBI NameTriphasiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCC(C)C(=O)Cc1c(OCC(O)C(C)(C)O)ccc2ccc(=O)oc12
InChIInChI=1S/C19H24O6/c1-11(2)14(20)9-13-15(24-10-16(21)19(3,4)23)7-5-12-6-8-17(22)25-18(12)13/h5-8,11,16,21,23H,9-10H2,1-4H3
InChIKeyDMSHDRKZHASQRO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Triphasiol (CHEBI:175421) is a coumarins (CHEBI:23403)
IUPAC Name 
7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one
Manual XrefsDatabases
HMDB0039062HMDB
138978ChemSpider
Registry NumbersSources
CAS:81445-98-9ChemIDplus