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CHEBI:209434 - Rifamycinoside B

ChEBI IDCHEBI:209434
ChEBI NameRifamycinoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53NO15
Net Charge0
Average Mass787.856
Monoisotopic Mass787.34152
SMILESC/C1=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H]2CC[C@](C)(OC(=O)c3c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(C)c(O)c4c3C(=O)C=C(NC1=O)C4=O)O2
InChIInChI=1S/C40H53NO15/c1-15-10-9-11-16(2)37(51)41-22-14-23(42)25-26(33(22)48)31(46)20(6)36(54-39-35(50)34(49)32(47)21(7)53-39)27(25)38(52)56-40(8)13-12-24(55-40)17(3)29(44)19(5)30(45)18(4)28(15)43/h9-11,14-15,17-19,21,24,28-30,32,34-35,39,43-47,49-50H,12-13H2,1-8H3,(H,41,51)/b10-9+,16-11+/t15-,17+,18+,19-,21-,24-,28-,29+,30+,32-,34+,35+,39-,40-/m0/s1
InChIKeyWELZFORFRLYQLJ-YYNBBNTOSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis mediterranei S699 (ncbitaxon:713604) - PubMed (30714736)
ChEBI Ontology
Outgoing Relation(s)
Rifamycinoside B (CHEBI:209434) is a glycoside (CHEBI:24400)
IUPAC Name 
(8S,11S,12S,13S,14R,15R,16R,17S,18S,19E,21E)-2,13,15,17-tetrahydroxy-3,8,12,14,16,18,22-heptamethyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7,30-dioxa-24-azatetracyclo[23.3.1.18,11.05,28]triaconta-1(28),2,4,19,21,25-hexaene-6,23,27,29-tetrone