EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190063 - 3''-Chloro-3''-deoxytriphasiol

ChEBI IDCHEBI:190063
ChEBI Name3''-Chloro-3''-deoxytriphasiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23ClO5
Net Charge0
Average Mass366.841
Monoisotopic Mass366.12340
SMILESCC(C)C(=O)Cc1c(OCC(O)C(C)(C)Cl)ccc2ccc(=O)oc12
InChIInChI=1S/C19H23ClO5/c1-11(2)14(21)9-13-15(24-10-16(22)19(3,4)20)7-5-12-6-8-17(23)25-18(12)13/h5-8,11,16,22H,9-10H2,1-4H3
InChIKeyABSHGVKRCLSRQK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
3''-Chloro-3''-deoxytriphasiol (CHEBI:190063) is a coumarins (CHEBI:23403)
IUPAC Name 
7-(3-chloro-2-hydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)chromen-2-one
Manual XrefsDatabases
HMDB0041136HMDB
35015113ChemSpider