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CHEBI:200862 - Guignardone I

ChEBI IDCHEBI:200862
ChEBI NameGuignardone I
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FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCO[C@H]1C[C@H](O)C2=C(C[C@H]3[C@H](C(C)(C)O)CC[C@@]3(C)O2)C1=O
InChIInChI=1S/C17H26O5/c1-16(2,20)10-5-6-17(3)11(10)7-9-14(19)13(21-4)8-12(18)15(9)22-17/h10-13,18,20H,5-8H2,1-4H3/t10-,11+,12+,13+,17-/m1/s1
InChIKeyWRBUZDRDVYGZFV-KEKQHROYSA-N
ChEBI Ontology
Outgoing Relation(s)
Guignardone I (CHEBI:200862) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3aR,5S,7S,9aS)-5-hydroxy-1-(2-hydroxypropan-2-yl)-7-methoxy-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
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