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CHEBI:217886 - Guanacastepene G

ChEBI IDCHEBI:217886
ChEBI NameGuanacastepene G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCC(=O)O[C@H]1C(=O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CCC4=O)CC[C@]2(C)[C@H]1C(C)C
InChIInChI=1S/C22H30O5/c1-11(2)15-20(27-12(3)23)18(25)17-19-16-13(10-26-19)14(24)6-7-21(16,4)8-9-22(15,17)5/h11,15,17,19-20H,6-10H2,1-5H3/t15-,17+,19-,20+,21-,22+/m0/s1
InChIKeyGHUMCLGIWDOJRA-KKQBYTNLSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene G (CHEBI:217886) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1R,2S,4R,5R,6R,9R)-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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32742591ChemSpider