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CHEBI:197750 - Guanacastepene K

ChEBI IDCHEBI:197750
ChEBI NameGuanacastepene K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCC(=O)OC1C(=O)[C@]23[C@H]4OCC5=C4[C@@](C)(CCC5=O)CC[C@]2(C)C1[C@@H](C)[C@@H]3O
InChIInChI=1S/C22H28O6/c1-10-14-16(28-11(2)23)18(26)22(17(10)25)19-15-12(9-27-19)13(24)5-6-20(15,3)7-8-21(14,22)4/h10,14,16-17,19,25H,5-9H2,1-4H3/t10-,14?,16?,17+,19+,20+,21-,22-/m1/s1
InChIKeyYAOIKEHZQQMVDT-YQVPQWBXSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene K (CHEBI:197750) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1R,2S,9R,12R,16S,17R)-16-hydroxy-9,12,17-trimethyl-6,15-dioxo-3-oxapentacyclo[11.2.2.12,5.01,12.09,18]octadec-5(18)-en-14-yl] acetate
Manual XrefsDatabases
78436265ChemSpider