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CHEBI:220663 - Paecilomycin I

ChEBI IDCHEBI:220663
ChEBI NamePaecilomycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESC[C@H]1CCC[C@@H]2OC(C)(C)O[C@H]2CC/C=C/c2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C21H28O6/c1-13-7-6-10-18-17(26-21(2,3)27-18)9-5-4-8-14-11-15(22)12-16(23)19(14)20(24)25-13/h4,8,11-13,17-18,22-23H,5-7,9-10H2,1-3H3/b8-4+/t13-,17-,18-/m0/s1
InChIKeyYQBDPTQRQMXVTH-ODZQMJLQSA-N
Species of MetaboliteComponentSourceComments
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Paecilomycin I (CHEBI:220663) is a macrolide (CHEBI:25106)
IUPAC Name 
(2E,6S,10S,14S)-18,20-dihydroxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,18,20-tetraen-16-one
Manual XrefsDatabases
78438747ChemSpider