CHEBI:197844 - Gymnastatin B

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ChEBI Name Gymnastatin B
ChEBI ID CHEBI:197844
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H35Cl2NO5
Net Charge 0
Average Mass 488.450
Monoisotopic Mass 487.18923
InChI InChI=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
InChIKey HCHKYWWJMUJBHB-NBSJDVKISA-N
SMILES ClC=1C(=O)[C@H](Cl)[C@@H](O)[C@@]2(C1)O[C@@H](OC)[C@H](C2)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C
Metabolite of Species Details
Gymnascella dankaliensis (NCBI:txid166389) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
8895125 ChemSpider
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