EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224480 - Talascortene E

Default Structure
ChEBI IDCHEBI:224480
ChEBI NameTalascortene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESC=C[C@]1(C)CCC2=C(CC[C@@]3(O)[C@@](C)(C(=O)O)CCC[C@]23C)[C@H]1OC
InChIInChI=1S/C21H32O4/c1-6-18(2)12-9-15-14(16(18)25-5)8-13-21(24)19(15,3)10-7-11-20(21,4)17(22)23/h6,16,24H,1,7-13H2,2-5H3,(H,22,23)/t16-,18-,19-,20-,21+/m1/s1
InChIKeyJIYVUOVLYQPSSA-MLZLACJZSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (32813522)
ChEBI Ontology
Outgoing Relation(s)
Talascortene E (CHEBI:224480) is a steroid acid (CHEBI:47891)
IUPAC Name 
(1S,4aR,7S,8S,10aS)-7-ethenyl-10a-hydroxy-8-methoxy-1,4a,7-trimethyl-2,3,4,5,6,8,9,10-octahydrophenanthrene-1-carboxylic acid
Manual XrefsDatabases
90609334ChemSpider