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CHEBI:198447 - Chalcomycin B

ChEBI IDCHEBI:198447
ChEBI NameChalcomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H64O16
Net Charge0
Average Mass812.947
Monoisotopic Mass812.41944
SMILESCCC(=O)O[C@@H]1[C@@H](OC2C(C)/C=C/C(=O)OC(C)C(CO[C@@H]3O[C@H](C)[C@@H](OC(=O)CC)[C@@H](OC)[C@H]3OC)C3OC3/C=C/C(=O)C(C)(O)CC2C)O[C@@H](C)C[C@H]1OC
InChIInChI=1S/C41H64O16/c1-12-30(43)55-34-25(7)53-39(38(49-11)37(34)48-10)50-20-26-24(6)52-32(45)17-14-21(3)33(22(4)19-41(8,46)29(42)16-15-27-35(26)54-27)57-40-36(56-31(44)13-2)28(47-9)18-23(5)51-40/h14-17,21-28,33-40,46H,12-13,18-20H2,1-11H3/b16-15+,17-14+/t21?,22?,23-,24?,25+,26?,27?,28+,33?,34+,35?,36-,37+,38+,39+,40+,41?/m0/s1
InChIKeyXJSZDFPQEHXXEE-JJCJSHEMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12523822)
ChEBI Ontology
Outgoing Relation(s)
Chalcomycin B (CHEBI:198447) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,3R,4R,5R,6R)-6-[[(6E,14E)-12-hydroxy-9-[(2R,3S,4R,6S)-4-methoxy-6-methyl-3-propanoyloxyoxan-2-yl]oxy-3,8,10,12-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl]methoxy]-4,5-dimethoxy-2-methyloxan-3-yl] propanoate
Manual XrefsDatabases
78445022ChemSpider