input word = C00031736

Metabolite InformationStructural formula
Name Dianthin C
(-)-Dianthin C
Formula C36H48N6O7
Mw 676.35844793
CAS RN 763932-78-1
C_ID C00031736 ,
InChIKey HYJVANPNJUWJBY-NTFZUQPENA-N
InChICode InChI=1S/C36H48N6O7/c1-5-22(4)31-35(48)41-30(21(2)3)34(47)38-26(18-24-13-15-25(43)16-14-24)32(45)39-27(19-23-10-7-6-8-11-23)36(49)42-17-9-12-28(42)33(46)37-20-29(44)40-31/h6-8,10-11,13-16,21-22,26-28,30-31,43H,5,9,12,17-20H2,1-4H3,(H,37,46)(H,38,47)(H,39,45)(H,40,44)(H,41,48)/t22-,26-,27-,28-,30-,31-/m0/s1
SMILES [C@H]1(NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)Cc1ccccc1)CCC2)[C@@H](C)CC)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus var.longicalycinus (MAXIM.) WILL Ref.
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