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CHEBI:197844 - Gymnastatin B

ChEBI IDCHEBI:197844
ChEBI NameGymnastatin B
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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(C=C(Cl)C(=O)[C@H](Cl)[C@H]2O)O[C@H]1OC
InChIInChI=1S/C24H35Cl2NO5/c1-5-6-7-8-9-15(2)12-16(3)10-11-19(28)27-18-14-24(32-23(18)31-4)13-17(25)21(29)20(26)22(24)30/h10-13,15,18,20,22-23,30H,5-9,14H2,1-4H3,(H,27,28)/b11-10+,16-12+/t15-,18+,20+,22-,23-,24+/m1/s1
InChIKeyHCHKYWWJMUJBHB-NBSJDVKISA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - DOI (10.1016/s0040-4039(97)01236-7)
ChEBI Ontology
Outgoing Relation(s)
Gymnastatin B (CHEBI:197844) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6R)-N-[(2R,3S,5R,6S,7R)-7,9-dichloro-6-hydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]dec-9-en-3-yl]-4,6-dimethyldodeca-2,4-dienamide
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