EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227427 - Applanone B

ChEBI IDCHEBI:227427
ChEBI NameApplanone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESCC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]3(O)C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C
InChIInChI=1S/C24H32O6/c1-12(25)13-9-18(28)23(6)22(13,5)17(27)11-15-21(4)8-7-16(26)20(2,3)14(21)10-19(29)24(15,23)30/h11,13-14,18,28,30H,7-10H2,1-6H3/t13-,14+,18-,21+,22+,23-,24-/m1/s1
InChIKeyFSQOJHFOSBREDZ-JNGPXBFJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (30390604)
ChEBI Ontology
Outgoing Relation(s)
Applanone B (CHEBI:227427) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
(5R,8S,10S,13R,14S,15R,17S)-17-acetyl-8,15-dihydroxy-4,4,10,13,14-pentamethyl-2,5,6,15,16,17-hexahydro-1H-cyclopenta[a]phenanthrene-3,7,12-trione