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CHEBI:199194 - Guignardone G

ChEBI IDCHEBI:199194
ChEBI NameGuignardone G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESC=C(C)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@@H](O)C[C@@H]3O
InChIInChI=1S/C16H22O4/c1-8(2)9-4-5-16(3)11(9)6-10-14(19)12(17)7-13(18)15(10)20-16/h9,11-13,17-18H,1,4-7H2,2-3H3/t9-,11-,12-,13-,16+/m0/s1
InChIKeyXXEZBUQSFPDVPL-BYIGHTSFSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (23118716)
ChEBI Ontology
Outgoing Relation(s)
Guignardone G (CHEBI:199194) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3aR,5S,7S,9aS)-5,7-dihydroxy-3a-methyl-1-prop-1-en-2-yl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
35516713ChemSpider