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CHEBI:222308 - Guignardone R

ChEBI IDCHEBI:222308
ChEBI NameGuignardone R
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O5
Net Charge0
Average Mass324.417
Monoisotopic Mass324.19367
SMILESCO[C@H]1C[C@H](O)C2=C(C[C@H]3[C@H](C(C)(C)OC)CC[C@@]3(C)O2)C1=O
InChIInChI=1S/C18H28O5/c1-17(2,22-5)11-6-7-18(3)12(11)8-10-15(20)14(21-4)9-13(19)16(10)23-18/h11-14,19H,6-9H2,1-5H3/t11-,12+,13+,14+,18-/m1/s1
InChIKeyWMBLMIONLZYJFU-REZKGXPESA-N
Species of MetaboliteComponentSourceComments
Guignardia (ncbitaxon:55180) - PubMed (26703548)
ChEBI Ontology
Outgoing Relation(s)
Guignardone R (CHEBI:222308) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3aR,5S,7S,9aS)-5-hydroxy-7-methoxy-1-(2-methoxypropan-2-yl)-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78441199ChemSpider