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CHEBI:198221 - Guignardone B

ChEBI IDCHEBI:198221
ChEBI NameGuignardone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESCC(C)(O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=1S/C17H24O5/c1-15(2,19)10-4-5-16(3)11(10)6-9-13(22-16)12-7-17(20,8-21-12)14(9)18/h10-12,19-20H,4-8H2,1-3H3/t10-,11+,12+,16-,17-/m1/s1
InChIKeyPBDZWPWWXYHYII-PRNVEUERSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1002/ejoc.201000916)
ChEBI Ontology
Outgoing Relation(s)
Guignardone B (CHEBI:198221) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,4R,7R,8S,12R)-12-hydroxy-7-(2-hydroxypropan-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one
Manual XrefsDatabases
29215075ChemSpider