input word = C00018359

Metabolite InformationStructural formula
Name 3-Hydroxyrifamycin S
Formula C37H45NO13
Mw 711.28909053
CAS RN 75922-14-4
C_ID C00018359 ,
InChIKey DAIDESYYUQXSBN-ZWEGNTOGNA-N
InChICode InChI=1S/C37H45NO13/c1-15-11-10-12-16(2)36(47)38-26-30(43)24-23(31(44)32(26)45)25-34(20(6)29(24)42)51-37(8,35(25)46)49-14-13-22(48-9)17(3)33(50-21(7)39)19(5)28(41)18(4)27(15)40/h10-15,17-19,22,27-28,33,40-42,45H,1-9H3,(H,38,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,27-,28+,33+,37-/m0/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)C)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.
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OrganismAmycolatopsis mediterranei R-12
ReferenceTraxler,J. Antibiotics,34,(1981),971