input word = C00018597

Metabolite InformationStructural formula
Name Betaclamycin M
Formula C40H53NO15
Mw 787.34152003
CAS RN 86976-55-8
C_ID C00018597 ,
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 CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CC[C@@H](O)C(C)O4)C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus KE303 Ref.
zoom in