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CHEBI:221324 - Viranamycin B

ChEBI IDCHEBI:221324
ChEBI NameViranamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H73NO14
Net Charge0
Average Mass840.061
Monoisotopic Mass839.50311
SMILESCC[C@@H]1[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@@]2(O)C[C@H](O[C@@H]3C[C@H](O)[C@@H](OC(N)=O)[C@@H](C)O3)[C@H](C)[C@@H](C)O2)OC(=O)/C(OC)=C/C(C)=C/[C@H](C)[C@H]1O
InChIInChI=1S/C44H73NO14/c1-13-31-37(47)24(4)17-22(2)15-14-16-33(53-11)40(57-42(50)34(54-12)19-23(3)18-25(5)38(31)48)27(7)39(49)28(8)44(52)21-35(26(6)29(9)59-44)56-36-20-32(46)41(30(10)55-36)58-43(45)51/h14-16,18-19,24-33,35-41,46-49,52H,13,17,20-21H2,1-12H3,(H2,45,51)/b16-14+,22-15+,23-18+,34-19-/t24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,35+,36-,37+,38-,39+,40+,41+,44-/m1/s1
InChIKeyIQDQMKRHOJUEEN-IFQPHJMCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1778781)
ChEBI Ontology
Outgoing Relation(s)
Viranamycin B (CHEBI:221324) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,3R,4S,6S)-6-[(2R,4S,5R,6R)-2-[(2S,3S,4R)-4-[(2S,3S,4E,6E,9R,10S,11R,12R,13S,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5,6-dimethyloxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate