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CHEBI:216503 - FACTUMYCIN

ChEBI IDCHEBI:216503
ChEBI NameFACTUMYCIN
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H64N2O10
Net Charge0
Average Mass793.011
Monoisotopic Mass792.45610
SMILESC/C=C/C=C/[C@@H]1O[C@](OC)([C@H](CC)C(=O)NC/C=C/C=C(\C)C(OC)C(C)C(O)C(O)/C=C/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C
InChIInChI=1S/C45H64N2O10/c1-11-13-17-25-37-44(6,7)36(50)29-45(56-10,57-37)33(12-2)42(53)46-27-21-20-23-31(4)41(55-9)32(5)40(52)35(49)24-19-16-14-15-18-22-30(3)39(51)38-34(48)26-28-47(8)43(38)54/h11,13-26,28,32-33,35-37,40-41,48-50,52H,12,27,29H2,1-10H3,(H,46,53)/b13-11+,16-14+,18-15+,21-20+,24-19+,25-17+,30-22+,31-23+/t32?,33-,35?,36+,37+,40?,41?,45+/m1/s1
InChIKeyPNAPQJHXPKPELJ-OXCXFXHNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces lavendulae (ncbitaxon:1914) - PubMed (7166535)
ChEBI Ontology
Outgoing Relation(s)
FACTUMYCIN (CHEBI:216503) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2S)-N-[(2E,4E,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-methyl-2-oxopyridin-3-yl)-6-methoxy-5,7,17-trimethyl-18-oxooctadeca-2,4,10,12,14,16-hexaenyl]-2-[(2S,4S,6S)-4-hydroxy-2-methoxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanamide
Manual XrefsDatabases
78445561ChemSpider