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CHEBI:201231 - Paecilomycin J

ChEBI IDCHEBI:201231
ChEBI NamePaecilomycin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O8
Net Charge0
Average Mass382.409
Monoisotopic Mass382.16277
SMILESCOc1cc(O)c2c(c1)[C@@H](O)[C@@H]1C[C@H](O)[C@@H](O1)[C@@H](O)CCC[C@H](C)OC2=O
InChIInChI=1S/C19H26O8/c1-9-4-3-5-12(20)18-14(22)8-15(27-18)17(23)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h6-7,9,12,14-15,17-18,20-23H,3-5,8H2,1-2H3/t9-,12-,14-,15-,17+,18-/m0/s1
InChIKeyYDFXVMNZAQKLKM-PPOLKOJWSA-N
Species of MetaboliteComponentSourceComments
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628) - DOI (10.1016/j.tetlet.2013.03.036)
ChEBI Ontology
Outgoing Relation(s)
Paecilomycin J (CHEBI:201231) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,11S,15S,16S,17S)-2,7,15,17-tetrahydroxy-5-methoxy-11-methyl-10,19-dioxatricyclo[14.2.1.03,8]nonadeca-3(8),4,6-trien-9-one
Manual XrefsDatabases
29355715ChemSpider