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CHEBI:199101 - Guanacastepene F

ChEBI IDCHEBI:199101
ChEBI NameGuanacastepene F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESCC(=O)O[C@H]1C(=O)[C@@H]2[C@H]3OCC4=C3[C@](C)(CC[C@]2(C)[C@H]1C(C)C)[C@@H](O)CC4=O
InChIInChI=1S/C22H30O6/c1-10(2)15-20(28-11(3)23)18(26)17-19-16-12(9-27-19)13(24)8-14(25)21(16,4)6-7-22(15,17)5/h10,14-15,17,19-20,25H,6-9H2,1-5H3/t14-,15-,17+,19-,20+,21+,22+/m0/s1
InChIKeyYDQXUAZAXNYTKE-UQPKPMPBSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene F (CHEBI:199101) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1R,2S,4R,5R,6R,9S,10S)-10-hydroxy-6,9-dimethyl-3,12-dioxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-4-yl] acetate
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32742590ChemSpider