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CHEBI:220204 - Rifamorpholine D

ChEBI IDCHEBI:220204
ChEBI NameRifamorpholine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H43NO13
Net Charge0
Average Mass685.723
Monoisotopic Mass685.27344
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](O)[C@@H]1C)O5
InChIInChI=1S/C35H43NO13/c1-12-19(46-7)8-9-47-35(6)32(44)22-20-21(27(41)15(4)30(22)49-35)31-23(29(43)28(20)42)36-33(45)34(5,48-31)11-18(37)16-10-17(16)26(40)14(3)25(39)13(2)24(12)38/h8-9,12-14,16-17,19,24-26,38-43H,10-11H2,1-7H3,(H,36,45)/b9-8+/t12-,13+,14+,16-,17+,19+,24-,25+,26-,34+,35+/m1/s1
InChIKeyFTAYPCXSKPQUML-SOWPABPFSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies Hca4 (ncbitaxon:2742131) - DOI (10.1039/c7ob00614d)
ChEBI Ontology
Outgoing Relation(s)
Rifamorpholine D (CHEBI:220204) is a azamacrocycle (CHEBI:52898)
Rifamorpholine D (CHEBI:220204) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,20R,23S)-2,13,15,17,27,28-hexahydroxy-11-methoxy-3,7,12,14,16,23-hexamethyl-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-hexaene-6,21,24-trione