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CHEBI:223767 - Aplasmomycin C

ChEBI IDCHEBI:223767
ChEBI NameAplasmomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H64BO16
Net Charge-1
Average Mass859.792
Monoisotopic Mass859.42929
SMILESCC(=O)O[C@H]1C/C=C/[C@@H]2C[C@H](OC(=O)[C@H]3O[B-]45O[C@H](C(=O)O[C@H]6C[C@@H](/C=C/C[C@H](OC(C)=O)C(C)(C)[C@@H]7CC[C@@H](C)[C@]3(O7)O4)O[C@@H]6C)[C@@]3(O[C@@H](CC[C@H]3C)C1(C)C)O5)[C@@H](C)O2
InChIInChI=1S/C44H64BO16/c1-23-17-19-35-41(7,8)33(52-27(5)46)15-11-13-30-22-32(26(4)51-30)55-40(49)38-44-24(2)18-20-36(57-44)42(9,10)34(53-28(6)47)16-12-14-29-21-31(25(3)50-29)54-39(48)37-43(23,56-35)60-45(58-37,59-38)61-44/h11-14,23-26,29-38H,15-22H2,1-10H3/q-1/b13-11+,14-12+/t23-,24-,25-,26-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,43+,44+,45?/m1/s1
InChIKeyALZCWBWMDGBRCS-XRLILKNRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (681248)
ChEBI Ontology
Outgoing Relation(s)
Aplasmomycin C (CHEBI:223767) is a macrolide (CHEBI:25106)
IUPAC Name 
[(1R,2S,5S,6R,8S,9E,12S,14S,17R,18R,22S,25S,26R,28S,29E,32S,34S,37R)-32-acetyloxy-6,13,13,17,26,33,33,37-octamethyl-3,23-dioxo-4,7,19,21,24,27,38,39,41,42-decaoxa-20-boranuidaoctacyclo[18.17.1.11,34.12,20.15,8.114,18.125,28.018,22]tritetraconta-9,29-dien-12-yl] acetate
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78443823ChemSpider