input word = C00014897

Metabolite InformationStructural formula
Name QN3323-A
YM 266183
Formula C48H47N13O10S6
Mw 1157.1893092
CAS RN 460351-97-7
C_ID C00014897 ,
InChIKey QFPBQHRZGAWLEX-NBBXXHIDNA-N
InChICode InChI=1S/C48H47N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-18,20-21,32-33,35,63-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8+,24-9+/t20-,21+,32-,33+,35-/m1/s1
SMILES c12c(ccc(n1)c1nc(cs1)c1scc(n1)C(=O)N/C(=C/C)/C(=O)NCC(=O)C)c1scc(n1)C(=O)N[C@@H](C(=O)N/C(=C/C)/c1scc(n1)C(=O)N[C@H](c1scc(C(=O)N[C@H](c3scc2n3)[C@@H](O)C)n1)C(C)(O)C)[C@H](O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus cereus QN03323 Ref.
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