input word = C00018429

Metabolite InformationStructural formula
Name 16,17-Dihydro-17-hydroxyrifamycin S
Formula C37H47NO13
Mw 713.3047406
CAS RN 82534-57-4
C_ID C00018429 ,
InChIKey NPAOKHUSTYPBJH-OJGSCYCINA-N
InChICode InChI=1S/C37H47NO13/c1-15-10-11-23(40)16(2)36(47)38-22-14-24(41)26-27(32(22)45)31(44)20(6)34-28(26)35(46)37(8,51-34)49-13-12-25(48-9)17(3)33(50-21(7)39)19(5)30(43)18(4)29(15)42/h10-19,23,25,29-30,33,40,42-44H,1-9H3,(H,38,47)/b11-10+,13-12+/t15-,16+,17+,18+,19+,23+,25-,29-,30+,33+,37-/m0/s1
SMILES CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)C(O)/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis mediterranei C 5/42 Ref.
zoom in