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CHEBI:227421 - Applanone A

ChEBI IDCHEBI:227421
ChEBI NameApplanone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESCC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]3(O)C(=O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C
InChIInChI=1S/C24H34O6/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/h11,13-14,16,18,26,28,30H,7-10H2,1-6H3/t13-,14+,16+,18-,21+,22+,23-,24-/m1/s1
InChIKeyDMRGTRXELXADPE-OVLDVIIHSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (30390604)
ChEBI Ontology
Outgoing Relation(s)
Applanone A (CHEBI:227421) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
(3S,5R,8S,10S,13R,14S,15R,17S)-17-acetyl-3,8,15-trihydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,15,16,17-octahydrocyclopenta[a]phenanthrene-7,12-dione