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CHEBI:220198 - Rifamorpholine C

ChEBI IDCHEBI:220198
ChEBI NameRifamorpholine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO13
Net Charge0
Average Mass711.761
Monoisotopic Mass711.28909
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c5c(cc(O)c4c3C2=O)NC(=O)[C@](C)(CC(=O)[C@@H]2C[C@@H]2[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)O5
InChIInChI=1S/C37H45NO13/c1-14-24(47-8)9-10-48-37(7)34(45)27-25-22(40)12-21-33(26(25)30(44)17(4)32(27)51-37)50-36(6,35(46)38-21)13-23(41)19-11-20(19)29(43)15(2)28(42)16(3)31(14)49-18(5)39/h9-10,12,14-16,19-20,24,28-29,31,40,42-44H,11,13H2,1-8H3,(H,38,46)/b10-9+/t14-,15+,16-,19-,20+,24+,28-,29-,31-,36+,37+/m1/s1
InChIKeyYGKOWXWMOFTQTG-VWQQNYFNSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies Hca4 (ncbitaxon:2742131) - DOI (10.1039/c7ob00614d)
ChEBI Ontology
Outgoing Relation(s)
Rifamorpholine C (CHEBI:220198) is a azamacrocycle (CHEBI:52898)
Rifamorpholine C (CHEBI:220198) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,20R,23S)-2,15,17,28-tetrahydroxy-11-methoxy-3,7,12,14,16,23-hexamethyl-6,21,24-trioxo-8,31,32-trioxa-25-azahexacyclo[21.6.2.14,7.05,29.018,20.026,30]dotriaconta-1(30),2,4,9,26,28-hexaen-13-yl] acetate