input word = C00018141

Metabolite InformationStructural formula
Name Rhodirubin B
Formula C42H55NO15
Mw 813.3571701
CAS RN 64502-82-5
C_ID C00018141 ,
InChIKey VGXIKBCXEHBHIQ-PHAWPPHJNA-N
InChICode InChI=1S/C42H55NO15/c1-8-42(51)17-28(32-21(36(42)41(50)52-7)15-22-33(38(32)48)39(49)35-26(46)10-9-25(45)34(35)37(22)47)57-31-16-23(43(5)6)40(20(4)55-31)58-30-14-12-27(19(3)54-30)56-29-13-11-24(44)18(2)53-29/h9-10,15,18-20,23-24,27-31,36,40,44-46,48,51H,8,11-14,16-17H2,1-7H3/t18-,19-,20-,23-,24+,27+,28+,29+,30+,31-,36+,40+,42-/m1/s1
SMILES C1[C@@]([C@@H](c2c([C@H]1O[C@H]1O[C@@H]([C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](CC4)O)C)CC3)C)[C@@H](C1)N(C)C)C)c(c1c(c2)C(=O)c2c(C1=O)c(ccc2O)O)O)C(=O)OC)(CC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. ME505-HE1 Ref.
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