EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219444 - Oasomycin B

ChEBI IDCHEBI:219444
ChEBI NameOasomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H104O22
Net Charge0
Average Mass1189.481
Monoisotopic Mass1188.70192
SMILESCC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)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/C61H104O22/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/h10,13-14,16-17,20-21,24,31-33,36-52,54-59,61-71,73-78H,11-12,15,18-19,22-23,25-30H2,1-9H3/t31?,32?,33?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52-,54?,55?,56?,57-,58+,59+,61+/m1/s1
InChIKeyQDNMAZUKNSYLDM-OHNVWHHGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/jlac.199319930193)
ChEBI Ontology
Outgoing Relation(s)
Oasomycin B (CHEBI:219444) is a macrolide (CHEBI:25106)
IUPAC Name 
8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[1-(5-oxooxolan-2-yl)ethyl]-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one