input word = C00026978

Metabolite InformationStructural formula
Name Keramamide J
Formula C43H58N10O11S
Mw 922.4007235
CAS RN 161995-34-2
C_ID C00026978 ,
InChIKey SPHHEEIGUZCELC-BUHFOSPRNA-N
InChICode InChI=1S/C43H58N10O11S/c1-7-22(3)34-36(57)42(63)51-31(19-64-6)43-48-26(20-65-43)13-14-33(56)49-29(15-25-16-45-28-12-10-9-11-27(25)28)38(59)46-17-30(39(60)47-24(5)37(58)52-34)50-41(62)35(23(4)8-2)53-40(61)32(55)18-44-21-54/h9-14,16,20-24,29-32,34-35,45,55H,7-8,15,17-19H2,1-6H3,(H,44,54)(H,46,59)(H,47,60)(H,49,56)(H,50,62)(H,51,63)(H,52,58)(H,53,61)/b14-13+/t22-,23-,24-,29+,30+,31+,32-,34+,35-/m1/s1
SMILES N1C[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)C(=O)N[C@H](c2scc(/C=C/C(=O)N[C@H](C1=O)Cc1c3c([nH]c1)cccc3)n2)COC)[C@@H](CC)C)C)NC(=O)[C@H](NC(=O)[C@@H](CNC=O)O)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Theonella sp. Ref.
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