input word = C00018223

Metabolite InformationStructural formula
Name Roseorubicin B
Formula C36H48N2O11
Mw 684.32581039
CAS RN 70559-01-2
C_ID C00018223 ,
InChIKey ARWQKOSWMQNCLS-YIFRWZNDNA-N
InChICode InChI=1S/C36H48N2O11/c1-8-36(45)13-12-19-26(33(44)28-27(31(19)42)32(43)25-18(30(28)41)10-9-11-22(25)39)35(36)49-24-15-21(38(6)7)34(17(3)47-24)48-23-14-20(37(4)5)29(40)16(2)46-23/h9-11,16-17,20-21,23-24,29,34-35,39-40,42,44-45H,8,12-15H2,1-7H3/t16-,17+,20-,21+,23+,24-,29+,34+,35-,36+/m1/s1
SMILES [C@@]1(CCc2c([C@H]1O[C@H]1O[C@H]([C@H](O[C@@H]3O[C@@H]([C@@H]([C@@H](C3)N(C)C)O)C)[C@H](C1)N(C)C)C)c(c1c(c2O)C(=O)c2c(C1=O)cccc2O)O)(CC)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaActinomycetaceaeActinomyces roseoviolaceus A 529 (IFO 13081) Ref.
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