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CHEBI:206727 - Benzoxazomycin

ChEBI IDCHEBI:206727
ChEBI NameBenzoxazomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48N2O8
Net Charge0
Average Mass636.786
Monoisotopic Mass636.34107
SMILESCOC1CC(=O)N2c3cc(O)cc4c3OC(C=C/C=C/CC(OC(=O)C(C)NC(=O)C3CCCCC3)C(C)C(O)/C(C)=C\CC4)C12
InChIInChI=1S/C36H48N2O8/c1-21-12-11-15-25-18-26(39)19-27-34(25)45-29(32-30(44-4)20-31(40)38(27)32)17-10-6-9-16-28(22(2)33(21)41)46-36(43)23(3)37-35(42)24-13-7-5-8-14-24/h6,9-10,12,17-19,22-24,28-30,32-33,39,41H,5,7-8,11,13-16,20H2,1-4H3,(H,37,42)/b9-6+,17-10?,21-12-
InChIKeyQOCVCLXEQORBEY-FHPJEPNZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11099221)
ChEBI Ontology
Outgoing Relation(s)
Benzoxazomycin (CHEBI:206727) is a azamacrocycle (CHEBI:52898)
Benzoxazomycin (CHEBI:206727) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4Z,10E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] 2-(cyclohexanecarbonylamino)propanoate