EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227374 - Applanone D

ChEBI IDCHEBI:227374
ChEBI NameApplanone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O5
Net Charge0
Average Mass402.531
Monoisotopic Mass402.24062
SMILESCC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C
InChIInChI=1S/C24H34O5/c1-12(25)13-9-18(28)23(6)22(13,5)17(27)10-15-21(4)8-7-16(26)20(2,3)14(21)11-19-24(15,23)29-19/h10,13-14,16,18-19,26,28H,7-9,11H2,1-6H3/t13-,14+,16+,18-,19+,21+,22+,23-,24-/m1/s1
InChIKeyYZRRQQNUNMTEDB-BJLXDENQSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (30390604)
ChEBI Ontology
Outgoing Relation(s)
Applanone D (CHEBI:227374) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3S,5R,7S,10S,14R,15S,17R,18S)-15-acetyl-7,17-dihydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-en-13-one