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CHEBI:212771 - Dankastatin A

ChEBI IDCHEBI:212771
ChEBI NameDankastatin A
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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@@H](Cl)[C@H]2O[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(30)13-17(25)21(29)20(26)22(24)32-23(18)31-4/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
InChIKeyBZCAAMLTKGWGQU-NVMAJLLBSA-N
Species of MetaboliteComponentSourceComments
Gymnascellaspecies (ncbitaxon:2213127) - PubMed (18284207)
ChEBI Ontology
Outgoing Relation(s)
Dankastatin A (CHEBI:212771) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2E,4E,6R)-N-[(2S,3S,4aR,8S,8aS)-6,8-dichloro-4a-hydroxy-2-methoxy-7-oxo-3,4,8,8a-tetrahydro-2H-chromen-3-yl]-4,6-dimethyldodeca-2,4-dienamide
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23314408ChemSpider