EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224487 - Talascortene F

ChEBI IDCHEBI:224487
ChEBI NameTalascortene F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC=C[C@]1(C)CCC2=C(CC[C@@]3(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]23C)[C@H]1O
InChIInChI=1S/C20H30O5/c1-5-17(2)9-7-13-12(15(17)22)6-11-20(25)18(13,3)10-8-14(21)19(20,4)16(23)24/h5,14-15,21-22,25H,1,6-11H2,2-4H3,(H,23,24)/t14-,15-,17-,18-,19-,20+/m1/s1
InChIKeyYPNCPUMTNZTBAI-MSPXFKQSSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (32813522)
ChEBI Ontology
Outgoing Relation(s)
Talascortene F (CHEBI:224487) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(1S,2R,4aR,7S,8S,10aS)-7-ethenyl-2,8,10a-trihydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,9,10-octahydrophenanthrene-1-carboxylic acid
Manual XrefsDatabases
90609335ChemSpider