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CHEBI:220192 - Rifamorpholine B

ChEBI IDCHEBI:220192
ChEBI NameRifamorpholine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H43NO12
Net Charge0
Average Mass669.724
Monoisotopic Mass669.27853
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](O)[C@@H]1C)O5
InChIInChI=1S/C35H43NO12/c1-13-22(45-7)8-9-46-35(6)32(43)25-23-20(37)11-19-31(24(23)29(42)16(4)30(25)48-35)47-34(5,33(44)36-19)12-21(38)17-10-18(17)28(41)15(3)27(40)14(2)26(13)39/h8-9,11,13-15,17-18,22,26-28,37,39-42H,10,12H2,1-7H3,(H,36,44)/b9-8+/t13-,14+,15+,17-,18+,22+,26-,27+,28-,34+,35+/m1/s1
InChIKeyGKYCCWMDDPZEIY-BATNRZTISA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies Hca4 (ncbitaxon:2742131) - DOI (10.1039/c7ob00614d)
ChEBI Ontology
Outgoing Relation(s)
Rifamorpholine B (CHEBI:220192) is a azamacrocycle (CHEBI:52898)
Rifamorpholine B (CHEBI:220192) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,20R,23S)-2,13,15,17,28-pentahydroxy-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(30),2,4,9,26,28-hexaene-6,21,24-trione