CHEBI:227421 - Applanone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Applanone A
ChEBI ID CHEBI:227421
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O6
Net Charge 0
Average Mass 418.530
Monoisotopic Mass 418.23554
InChI InChI=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
InChIKey DMRGTRXELXADPE-OVLDVIIHSA-N
SMILES O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@]4([C@]1([C@@H](C(=O)C)C[C@H]4O)C)C
Metabolite of Species Details
Ganoderma applanatum (NCBI:txid29884) See: PubMed
ChEBI Ontology
Outgoing 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