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CHEBI:200227 - Hydroxymycotrienin B

ChEBI IDCHEBI:200227
ChEBI NameHydroxymycotrienin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48N2O9
Net Charge0
Average Mass652.785
Monoisotopic Mass652.33598
SMILESCOC1C=C/C=C/C=C/CC(O)C(C)C(OC(=O)C(C)NC(=O)C2CCCCC2)/C(C)=C\CCC2=C(O)C(=CC(=O)C2=O)NC(=O)C1
InChIInChI=1S/C36H48N2O9/c1-22-14-13-18-27-32(42)28(21-30(40)33(27)43)38-31(41)20-26(46-4)17-11-6-5-7-12-19-29(39)23(2)34(22)47-36(45)24(3)37-35(44)25-15-9-8-10-16-25/h5-7,11-12,14,17,21,23-26,29,34,39,42H,8-10,13,15-16,18-20H2,1-4H3,(H,37,44)(H,38,41)/b6-5+,12-7+,17-11?,22-14-
InChIKeyGGZCXNDCJRHBKJ-IGFODWNLSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (8682718)
ChEBI Ontology
Outgoing Relation(s)
Hydroxymycotrienin B (CHEBI:200227) is a azamacrocycle (CHEBI:52898)
Hydroxymycotrienin B (CHEBI:200227) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(8E,10E,16Z)-13,24-dihydroxy-5-methoxy-14,16-dimethyl-3,21,22-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24)-hexaen-15-yl] 2-(cyclohexanecarbonylamino)propanoate