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CHEBI:198623 - Desertomycin B

ChEBI IDCHEBI:198623
ChEBI NameDesertomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H106O22
Net Charge0
Average Mass1191.497
Monoisotopic Mass1190.71758
SMILESCC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C2CCC(O)O2)OC1=O
InChIInChI=1S/C61H106O22/c1-31-14-10-11-18-45(68)36(6)55(74)32(2)15-12-16-34(4)60(79)81-49(39(9)50-22-23-53(72)80-50)19-13-17-40(63)25-41(64)27-46(69)37(7)56(75)38(8)47(70)28-42(65)26-43(66)29-48(71)51(24-35(5)54(73)33(3)20-21-44(31)67)82-61-59(78)58(77)57(76)52(30-62)83-61/h10,13-14,16-17,20-21,24,31-33,36-59,61-78H,11-12,15,18-19,22-23,25-30H2,1-9H3
InChIKeyZQGMDHCZCLGAKC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1288524)
ChEBI Ontology
Outgoing Relation(s)
Desertomycin B (CHEBI:198623) is a macrolide (CHEBI:25106)
IUPAC Name 
8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-42-[1-(5-hydroxyoxolan-2-yl)ethyl]-3,7,9,15,19,21,31,33-octamethyl-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one