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CHEBI:220186 - Rifamorpholine A

ChEBI IDCHEBI:220186
ChEBI NameRifamorpholine A
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(c(O)c(O)c4c3C2=O)NC(=O)[C@](C)(/C=C\C=C(/C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)O5
InChIInChI=1S/C37H45NO13/c1-15-11-10-13-36(7)35(46)38-25-30(44)29(43)22-23(33(25)50-36)28(42)19(5)32-24(22)34(45)37(8,51-32)48-14-12-21(47-9)16(2)31(49-20(6)39)18(4)27(41)17(3)26(15)40/h10-14,16-18,21,26-27,31,40-44H,1-9H3,(H,38,46)/b13-10-,14-12+,15-11+/t16-,17-,18-,21+,26-,27-,31-,36+,37+/m1/s1
InChIKeySMMZRVDPJAUUOF-XAHJNJQSSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies Hca4 (ncbitaxon:2742131) - DOI (10.1039/c7ob00614d)
ChEBI Ontology
Outgoing Relation(s)
Rifamorpholine A (CHEBI:220186) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18E,20Z,22S)-2,15,17,26,27-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30,31-trioxa-24-azapentacyclo[20.6.2.14,7.05,28.025,29]hentriaconta-1(28),2,4,9,18,20,25(29),26-octaen-13-yl] acetate