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CHEBI:213440 - Guignardone O

ChEBI IDCHEBI:213440
ChEBI NameGuignardone O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESC[C@](O)(CO)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=1S/C17H24O6/c1-15(20,7-18)10-3-4-16(2)11(10)5-9-13(23-16)12-6-17(21,8-22-12)14(9)19/h10-12,18,20-21H,3-8H2,1-2H3/t10-,11+,12+,15+,16-,17-/m1/s1
InChIKeyOPYPWMGWBUCOSQ-AWINHPFOSA-N
Species of MetaboliteComponentSourceComments
Guignardiaspecies (ncbitaxon:1715232) - PubMed (26577190)
ChEBI Ontology
Outgoing Relation(s)
Guignardone O (CHEBI:213440) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,4R,7R,8S,12R)-7-[(2R)-1,2-dihydroxypropan-2-yl]-12-hydroxy-4-methyl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one
Manual XrefsDatabases
58919867ChemSpider