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CHEBI:227379 - Applanone E

ChEBI IDCHEBI:227379
ChEBI NameApplanone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)C(=O)CC[C@]3(C)C4=CC(=O)[C@]12C
InChIInChI=1S/C24H32O5/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/h10,13-14,18-19,28H,7-9,11H2,1-6H3/t13-,14+,18-,19+,21+,22+,23-,24-/m1/s1
InChIKeyAGSYOZCRYSLYLA-APIKOIKYSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (30390604)
ChEBI Ontology
Outgoing Relation(s)
Applanone E (CHEBI:227379) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3S,5R,10S,14R,15S,17R,18S)-15-acetyl-17-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,13-dione