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CHEBI:204385 - Macbecin II

ChEBI IDCHEBI:204385
ChEBI NameMacbecin II
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44N2O8
Net Charge0
Average Mass560.688
Monoisotopic Mass560.30977
SMILESCOC1CC(C)C(OC)c2cc(O)cc(c2O)NC(=O)/C(C)=C\C=C/C(C)C(OC(N)=O)/C(C)=C\C(C)C1OC
InChIInChI=1S/C30H44N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28,33-34H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11-,18-12-
InChIKeySVSFCSOFEPJFSF-CIELKHGCSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies (ncbitaxon:1821) - DOI (10.1016/s0040-4039(00)71198-1)
ChEBI Ontology
Outgoing Relation(s)
Macbecin II (CHEBI:204385) is a azamacrocycle (CHEBI:52898)
Macbecin II (CHEBI:204385) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4Z,6Z,10Z)-20,22-dihydroxy-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
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19592245ChemSpider