input word = C00018360

Metabolite InformationStructural formula
Name 3,31-Dihydroxyrifamycin S
Formula C37H45NO14
Mw 727.28400516
CAS RN 75922-15-5
C_ID C00018360 ,
InChIKey FAZGCSJZGLEVKX-WDNPRGHFNA-N
InChICode InChI=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/h9-13,16-18,21-22,27-28,33,39,41-43,46H,14H2,1-8H3,(H,38,48)/b11-9+,13-12+,15-10-/t16-,17+,18-,21-,22+,27-,28-,33-,37+/m1/s1
SMILES C1(=O)C2=C(C(=O)c3c1c(c(c1c3C(=O)[C@](O1)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](C)[C@H]([C@H](/C=C/C=C(\C(=O)N2)/C)CO)O)O)C)OC(=O)C)C)OC)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis mediterranei R-12 Ref.
zoom in