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CHEBI:198644 - Dankastatin B

ChEBI IDCHEBI:198644
ChEBI NameDankastatin B
Stars
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]1CO[C@H]2[C@@H](Cl)C(=O)C(Cl)=C[C@@]2(O)C1
InChIInChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-17-12-23(29)13-18(24)21(28)20(25)22(23)30-14-17/h9-11,13,15,17,20,22,29H,4-8,12,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,17+,20+,22+,23+/m1/s1
InChIKeyFOYHOCBUHQKEDQ-HUWMOLIRSA-N
Species of MetaboliteComponentSourceComments
Gymnascellaspecies (ncbitaxon:2213127) - PubMed (18284207)
ChEBI Ontology
Outgoing Relation(s)
Dankastatin B (CHEBI:198644) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2E,4E,6R)-N-[(3S,4aS,8R,8aR)-6,8-dichloro-4a-hydroxy-7-oxo-3,4,8,8a-tetrahydro-2H-chromen-3-yl]-4,6-dimethyldodeca-2,4-dienamide
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23314380ChemSpider