CHEBI:227368 - Applanone C

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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 C
ChEBI ID CHEBI:227368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30O6
Net Charge 0
Average Mass 414.498
Monoisotopic Mass 414.20424
InChI InChI=1S/C24H30O6/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/h9,11,14,18,28,30H,7-8,10H2,1-6H3/t14-,18+,21-,22-,23+,24+/m0/s1
InChIKey OYKXWLQGJMIRTL-PTWPCQPQSA-N
SMILES O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1(C(C(=O)C)=C[C@H]4O)C)C
Metabolite of Species Details
Ganoderma applanatum (NCBI:txid29884) See: PubMed
ChEBI Ontology
Outgoing Applanone C (CHEBI:227368) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name
(5R,8S,10S,13S,14S,15R)-17-acetyl-8,15-dihydroxy-4,4,10,13,14-pentamethyl-2,5,6,15-tetrahydro-1H-cyclopenta[a]phenanthrene-3,7,12-trione