input word = C00018361

Metabolite InformationStructural formula
Name 1-Deoxy-1-oxarifamycin S
16,17-Dehydrorifamycin G
Formula C36H45NO12
Mw 683.29417591
CAS RN 75922-16-6
C_ID C00018361 ,
InChIKey FONPPYGJUVVMEY-AEZIOYLSNA-N
InChICode InChI=1S/C36H45NO12/c1-16-11-10-12-17(2)35(44)37-25-15-23(39)26-27-32(21(6)30(42)33(26)48-25)49-36(8,34(27)43)46-14-13-24(45-9)18(3)31(47-22(7)38)20(5)29(41)19(4)28(16)40/h10-16,18-20,24,28-29,31,40-42H,1-9H3,(H,37,44)/b11-10+,14-13+,17-12+/t16-,18+,19+,20-,24-,28-,29+,31-,36+/m1/s1
SMILES o1c2cc(=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
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis mediterranei R-12 Ref.
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