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CHEBI:223913 - Oxalomycin B

ChEBI IDCHEBI:223913
ChEBI NameOxalomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H49N3O9
Net Charge0
Average Mass655.789
Monoisotopic Mass655.34688
SMILESCOC(CC(C)C(O)/C=C/C=C/CNC(=O)C(C)(C)C(O)/C(C)=C/C=C/C=C/Cc1cnco1)C1(O)C(C)C(=O)N(C)C12COC2=O
InChIInChI=1S/C35H49N3O9/c1-23(15-11-8-9-12-16-26-20-36-22-47-26)29(40)33(4,5)31(42)37-18-14-10-13-17-27(39)24(2)19-28(45-7)35(44)25(3)30(41)38(6)34(35)21-46-32(34)43/h8-15,17,20,22,24-25,27-29,39-40,44H,16,18-19,21H2,1-7H3,(H,37,42)/b11-8+,12-9+,14-10+,17-13+,23-15+
InChIKeyZZNSFVQRQDZGGX-XRDXNDOHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9571773)
ChEBI Ontology
Outgoing Relation(s)
Oxalomycin B (CHEBI:223913) has functional parent α-amino acid (CHEBI:33704)
Oxalomycin B (CHEBI:223913) is a organonitrogen compound (CHEBI:35352)
Oxalomycin B (CHEBI:223913) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4E,6E,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-5,7-dimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide
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20143674ChemSpider