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CHEBI:203761 - Gymnastatin Q

ChEBI IDCHEBI:203761
ChEBI NameGymnastatin Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35Cl2NO5
Net Charge0
Average Mass488.452
Monoisotopic Mass487.18923
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)([C@@H]1O)[C@H]2OC
InChIInChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-23(31)13-17(25)20(29)24(26,21(18)30)22(23)32-4/h10-13,15,18,21-22,30-31H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18+,21-,22+,23-,24+/m1/s1
InChIKeyMZPLGIXULRXDSO-HKYLIPGXSA-N
Species of MetaboliteComponentSourceComments
Gymnascellaspecies (ncbitaxon:2213127) - PubMed (18284207)
ChEBI Ontology
Outgoing Relation(s)
Gymnastatin Q (CHEBI:203761) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6R)-N-[(1S,2R,3S,5S,9S)-1,7-dichloro-2,5-dihydroxy-9-methoxy-8-oxo-3-bicyclo[3.3.1]non-6-enyl]-4,6-dimethyldodeca-2,4-dienamide
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