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CHEBI:211331 - Guanacastepene M

ChEBI IDCHEBI:211331
ChEBI NameGuanacastepene M
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FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILESC[C@H]1CO[C@H]2C(=O)C3=C4OC(=O)C5=C4[C@@](C)(CCC5=O)CC[C@]3(C)[C@@H]12
InChIInChI=1S/C20H22O5/c1-9-8-24-17-12(9)20(3)7-6-19(2)5-4-10(21)11-13(19)16(25-18(11)23)14(20)15(17)22/h9,12,17H,4-8H2,1-3H3/t9-,12-,17+,19-,20+/m0/s1
InChIKeyNYXWRIOSIQNJKH-DDHNXKPLSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene M (CHEBI:211331) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,7R,8R,9R,12R)-7,9,12-trimethyl-5,18-dioxapentacyclo[10.6.1.02,9.04,8.016,19]nonadeca-1,16(19)-diene-3,15,17-trione
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