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CHEBI:206625 - Gymnastatin A

ChEBI IDCHEBI:206625
ChEBI NameGymnastatin A
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SubmitterMetaboLights
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FormulaC23H31Cl2NO4
Net Charge0
Average Mass456.410
Monoisotopic Mass455.16301
SMILESCCCCCCC(C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)OC1O
InChIInChI=1S/C23H31Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-20(27)26-19-14-23(30-22(19)29)12-17(24)21(28)18(25)13-23/h9-13,15,19,22,29H,4-8,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15?,19-,22?/m0/s1
InChIKeyNGXMXBNROHVABT-FYPVGPPLSA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - DOI (10.1016/s0040-4039(97)01236-7)
ChEBI Ontology
Outgoing Relation(s)
Gymnastatin A (CHEBI:206625) is a fatty amide (CHEBI:29348)
IUPAC Name 
(2E,4E)-N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyldodeca-2,4-dienamide
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8271099ChemSpider