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CHEBI:225125 - 3,31-dihydroxyrifamycin S

ChEBI IDCHEBI:225125
ChEBI Name3,31-dihydroxyrifamycin S
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)c4c(c3C2=O)C(=O)C(=O)C(=C4O)NC(=O)/C(C)=C\C=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C37H45NO14/c1-15-10-9-11-21(14-39)28(42)17(3)27(41)18(4)33(51-20(6)40)16(2)22(49-8)12-13-50-37(7)35(47)25-23-24(29(43)19(5)34(25)52-37)30(44)26(38-36(15)48)32(46)31(23)45/h9-13,16-18,21-22,27-28,33,39,41-44H,14H2,1-8H3,(H,38,48)/b11-9+,13-12+,15-10-/t16-,17+,18-,21-,22+,27-,28-,33-,37+/m1/s1
InChIKeyHZPYFOHDSMHJDD-LAPQMNFSSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (7319930)
ChEBI Ontology
Outgoing Relation(s)
3,31-dihydroxyrifamycin S (CHEBI:225125) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18R,19E,21Z)-2,15,17,29-tetrahydroxy-18-(hydroxymethyl)-11-methoxy-3,7,12,14,16,22-hexamethyl-6,23,26,27-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate
Manual XrefsDatabases
78443293ChemSpider