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CHEBI:223143 - Wailupemycin A

ChEBI IDCHEBI:223143
ChEBI NameWailupemycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCOc1cc(C[C@@]2(O)C[C@@H](O)CC(=O)[C@@]2(O)CC(=O)c2ccccc2)oc(=O)c1
InChIInChI=1S/C21H22O8/c1-28-15-8-16(29-19(25)9-15)11-20(26)10-14(22)7-18(24)21(20,27)12-17(23)13-5-3-2-4-6-13/h2-6,8-9,14,22,26-27H,7,10-12H2,1H3/t14-,20-,21-/m0/s1
InChIKeyZONQALFJVQODID-WVFSVQOHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/0040-4020(96)00391-2)
ChEBI Ontology
Outgoing Relation(s)
Wailupemycin A (CHEBI:223143) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-methoxy-6-[[(1S,2R,5R)-1,2,5-trihydroxy-3-oxo-2-phenacylcyclohexyl]methyl]pyran-2-one
Manual XrefsDatabases
8986395ChemSpider