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CHEBI:215778 - Paecilomycin B

ChEBI IDCHEBI:215778
ChEBI NamePaecilomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILESCOc1cc(O)c2c(c1)[C@@H]1O[C@H]([C@H](O)/C=C/C[C@H](C)OC2=O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C19H24O8/c1-9-4-3-5-12(20)18-15(23)8-14(22)17(27-18)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
InChIKeyGNDKUQOAVULHDO-DORHYLSRSA-N
Species of MetaboliteComponentSourceComments
Clavicipitaceaespecies SC0924 (ncbitaxon:1710628) - PubMed (20429578)
ChEBI Ontology
Outgoing Relation(s)
Paecilomycin B (CHEBI:215778) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,10S,12E,14R,15S,16S,18R)-6,14,16,18-tetrahydroxy-4-methoxy-10-methyl-9,19-dioxatricyclo[13.3.1.02,7]nonadeca-2(7),3,5,12-tetraen-8-one
Manual XrefsDatabases
24676564ChemSpider