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CHEBI:217627 - Wailupemycin B

ChEBI IDCHEBI:217627
ChEBI NameWailupemycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1cc(C[C@]23C[C@@H]4CC(=O)[C@@]2(O)C[C@@](c2ccccc2)(O4)O3)oc(=O)c1
InChIInChI=1S/C21H20O7/c1-25-14-7-15(26-18(23)9-14)10-19-11-16-8-17(22)20(19,24)12-21(27-16,28-19)13-5-3-2-4-6-13/h2-7,9,16,24H,8,10-12H2,1H3/t16-,19-,20-,21+/m0/s1
InChIKeyAMKBZANFPJYUOK-LRGNLBRXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/0040-4020(96)00391-2)
ChEBI Ontology
Outgoing Relation(s)
Wailupemycin B (CHEBI:217627) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,3R,6R,8R)-3-hydroxy-8-[(4-methoxy-6-oxopyran-2-yl)methyl]-1-phenyl-9,10-dioxatricyclo[4.3.1.03,8]decan-4-one
Manual XrefsDatabases
8723429ChemSpider