input word = C00031737

Metabolite InformationStructural formula
Name Dianthin D
Formula C36H53N7O8
Mw 711.39556172
CAS RN 763932-79-2
C_ID C00031737 ,
InChIKey WDMPLDBBPHPZPY-DSGJYGLYNA-N
InChICode InChI=1S/C36H53N7O8/c1-5-22(4)30-34(49)39-24(18-23-11-7-6-8-12-23)31(46)37-19-29(45)38-26(20-44)32(47)40-25(17-21(2)3)35(50)43-16-10-14-28(43)36(51)42-15-9-13-27(42)33(48)41-30/h6-8,11-12,21-22,24-28,30,44H,5,9-10,13-20H2,1-4H3,(H,37,46)(H,38,45)(H,39,49)(H,40,47)(H,41,48)/t22-,24-,25-,26+,27-,28-,30-/m0/s1
SMILES [C@H]1(NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H]3N(C1=O)CCC3)CCC2)[C@@H](C)CC)Cc1ccccc1)CO)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus var.longicalycinus (MAXIM.) WILL Ref.
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