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CHEBI:223773 - Aplasmomycin B

ChEBI IDCHEBI:223773
ChEBI NameAplasmomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H62BO15
Net Charge-1
Average Mass817.755
Monoisotopic Mass817.41873
SMILESCC(=O)OC1C/C=C/C2CC(OC(=O)C3O[B-]45OC(C(=O)OC6CC(/C=C/CC(O)C(C)(C)C7CCC(C)C3(O7)O4)OC6C)C3(OC(CCC3C)C1(C)C)O5)C(C)O2
InChIInChI=1S/C42H62BO15/c1-22-16-18-33-39(6,7)31(45)14-10-12-27-20-29(24(3)48-27)51-38(47)36-42-23(2)17-19-34(54-42)40(8,9)32(50-26(5)44)15-11-13-28-21-30(25(4)49-28)52-37(46)35-41(22,53-33)57-43(55-35,56-36)58-42/h10-13,22-25,27-36,45H,14-21H2,1-9H3/q-1/b12-10+,13-11+
InChIKeyOIBTYVKUADDSRJ-DCIPZJNNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (681248)
ChEBI Ontology
Outgoing Relation(s)
Aplasmomycin B (CHEBI:223773) is a macrolide (CHEBI:25106)
IUPAC Name 
[(9E,29E)-32-hydroxy-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
Manual XrefsDatabases
10470945ChemSpider