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CHEBI:220682 - Paecilomycin A

ChEBI IDCHEBI:220682
ChEBI NamePaecilomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILESCOc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O
InChIInChI=1S/C19H24O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,12,14-15,17-18,20-23H,4,8H2,1-2H3/b5-3+/t9-,12+,14-,15+,17+,18+/m0/s1
InChIKeyNWBBODCXRAHUEM-GJCWSATPSA-N
Species of MetaboliteComponentSourceComments
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628) - PubMed (20429578)
ChEBI Ontology
Outgoing Relation(s)
Paecilomycin A (CHEBI:220682) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(2R,4R,6S,7S,8R,9E,12S)-6,7,8,16-tetrahydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one
Manual XrefsDatabases
28287721ChemSpider