input word = C00047424

Metabolite InformationStructural formula
Name Citronamide A
(-)-Citronamide A
Formula C39H59N7O15
Mw 865.40691427
CAS RN 1136975-20-6
C_ID C00047424 ,
InChIKey KQOZBKFTEOQYFQ-SKCXQXJHNA-N
InChICode InChI=1S/C39H59N7O15/c1-6-18(3)25(33(50)46-26(35(52)53)19(4)7-2)45-34(51)27(44-24(47)11-9-8-10-21(40)16-20-12-14-22(58-5)15-13-20)30(23-17-42-39(57)43-23)59-37-29(49)31(61-38(41)56)28(48)32(60-37)36(54)55/h12-15,17-19,21,25-32,37,48-49H,6-11,16,40H2,1-5H3,(H2,41,56)(H,44,47)(H,45,51)(H,46,50)(H,52,53)(H,54,55)(H2,42,43,57)/t18-,19+,21-,25-,26+,27+,28-,29+,30-,31-,32+,37+/m0/s1
SMILES c1([C@@H]([C@@H](NC(=O)CCCC[C@@H](Cc2ccc(cc2)OC)N)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H]([C@@H](CC)C)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)OC(=O)N)O)[nH]c(=O)[nH]c1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Citronia astra Ref.
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