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CHEBI:204636 - Gymnastatin R

ChEBI IDCHEBI:204636
ChEBI NameGymnastatin R
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33Cl2NO4
Net Charge0
Average Mass458.426
Monoisotopic Mass457.17866
SMILESCCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(O)C=C(Cl)C(=O)[C@@](Cl)(C2)[C@H]1O
InChIInChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-18-13-22(30)12-17(24)20(28)23(25,14-22)21(18)29/h9-12,15,18,21,29-30H,4-8,13-14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,18+,21+,22-,23+/m1/s1
InChIKeyWDCSNVYLZCMUNB-WFXSWVRYSA-N
Species of MetaboliteComponentSourceComments
Gymnascellaspecies (ncbitaxon:2213127) - PubMed (18284207)
ChEBI Ontology
Outgoing Relation(s)
Gymnastatin R (CHEBI:204636) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6R)-N-[(1R,2S,3S,5R)-1,7-dichloro-2,5-dihydroxy-8-oxo-3-bicyclo[3.3.1]non-6-enyl]-4,6-dimethyldodeca-2,4-dienamide
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23314499ChemSpider