input word = C00018598

Metabolite InformationStructural formula
Name Betaclamycin N
Formula C40H53NO15
Mw 787.34152003
CAS RN 87037-92-1
C_ID C00018598 ,
InChIKey ORPATGRWFRNUDF-QWVAMYONNA-N
InChICode InChI=1S/C40H53NO15/c1-7-40(50)15-24(29-32(39(40)49)36(48)30-31(35(29)47)34(46)28-19(33(30)45)9-8-10-22(28)43)54-26-13-20(41(5)6)37(17(3)52-26)56-27-14-23(44)38(18(4)53-27)55-25-12-11-21(42)16(2)51-25/h8-10,16-18,20-21,23-27,37-39,42-44,47-50H,7,11-15H2,1-6H3/t16-,17+,18-,20+,21-,23-,24+,25+,26-,27-,37-,38+,39-,40-/m1/s1
SMILES C1[C@@]([C@@H](c2c([C@H]1O[C@H]1O[C@H]([C@H]([C@H](C1)N(C)C)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@@H](CC1)O)C)C)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2)O)O)O)(CC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus KE303 Ref.
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