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CHEBI:204733 - Wailupemycin C

ChEBI IDCHEBI:204733
ChEBI NameWailupemycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1cc([C@H]2[C@@H]3C[C@H](C[C@@]2(O)CC(=O)c2ccccc2)OC3=O)oc(=O)c1
InChIInChI=1S/C21H20O7/c1-26-13-8-17(28-18(23)9-13)19-15-7-14(27-20(15)24)10-21(19,25)11-16(22)12-5-3-2-4-6-12/h2-6,8-9,14-15,19,25H,7,10-11H2,1H3/t14-,15+,19-,21-/m1/s1
InChIKeyBRWQQGQVOVWUIT-OGZLKCIRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces phaeochromogenes (ncbitaxon:1923) - DOI (10.1016/0040-4020(96)00391-2)
ChEBI Ontology
Outgoing Relation(s)
Wailupemycin C (CHEBI:204733) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2S,3R,5R)-3-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-phenacyl-6-oxabicyclo[3.2.1]octan-7-one
Manual XrefsDatabases
8914114ChemSpider