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CHEBI:216904 - Oasomycin C

ChEBI IDCHEBI:216904
ChEBI NameOasomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H106O23
Net Charge0
Average Mass1207.496
Monoisotopic Mass1206.71249
SMILESC/C1=C/CCC(C)C(O)C(C)C(O)CC/C=C\C(C)C(O)/C=C\C(C)C(O)/C(C)=C\C(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=C\CC(O)C(C)C(CCC(=O)O)OC1=O
InChIInChI=1S/C61H106O23/c1-31-14-10-11-18-46(69)37(7)55(76)32(2)15-12-16-34(4)60(81)82-50(22-23-53(73)74)36(6)45(68)19-13-17-40(63)25-41(64)27-47(70)38(8)56(77)39(9)48(71)28-42(65)26-43(66)29-49(72)51(24-35(5)54(75)33(3)20-21-44(31)67)83-61-59(80)58(79)57(78)52(30-62)84-61/h10,13-14,16-17,20-21,24,31-33,36-52,54-59,61-72,75-80H,11-12,15,18-19,22-23,25-30H2,1-9H3,(H,73,74)/b14-10-,17-13-,21-20-,34-16-,35-24-/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
InChIKeyHBPCMXQLIUMWOY-CPOFMQBASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/jlac.199319930193)
ChEBI Ontology
Outgoing Relation(s)
Oasomycin C (CHEBI:216904) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[(6E,24E,28E,32E,42E)-4,8,10,12,14,16,18,20,22,26,30,36,38-tridecahydroxy-3,13,15,25,27,31,37,39,43-nonamethyl-44-oxo-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetratetraconta-6,24,28,32,42-pentaen-2-yl]propanoic acid
Manual XrefsDatabases
10268395ChemSpider