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CHEBI:220209 - Rifamorpholine E

ChEBI IDCHEBI:220209
ChEBI NameRifamorpholine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO14
Net Charge0
Average Mass727.760
Monoisotopic Mass727.28401
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c5c(c(O)c(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/C37H45NO14/c1-13-21(48-8)9-10-49-37(7)34(46)24-22-23(28(43)16(4)32(24)52-37)33-25(30(45)29(22)44)38-35(47)36(6,51-33)12-20(40)18-11-19(18)27(42)14(2)26(41)15(3)31(13)50-17(5)39/h9-10,13-15,18-19,21,26-27,31,41-45H,11-12H2,1-8H3,(H,38,47)/b10-9+/t13-,14+,15-,18-,19+,21+,26-,27-,31-,36+,37+/m1/s1
InChIKeyRHXMWIQQZOYJPX-HLPMTTABSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies Hca4 (ncbitaxon:2742131) - DOI (10.1039/c7ob00614d)
ChEBI Ontology
Outgoing Relation(s)
Rifamorpholine E (CHEBI:220209) is a azamacrocycle (CHEBI:52898)
Rifamorpholine E (CHEBI:220209) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,20R,23S)-2,15,17,27,28-pentahydroxy-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(29),2,4,9,26(30),27-hexaen-13-yl] acetate