input word = C00028177

Metabolite InformationStructural formula
Name Dianthin B
Formula C36H46N6O6
Mw 658.34788325
CAS RN 219808-31-8
C_ID C00028177 ,
InChIKey BGIIBDKAZHSXJX-IAQDWAMUNA-N
InChICode InChI=1S/C36H46N6O6/c1-3-23(2)31-35(47)38-26(20-24-12-6-4-7-13-24)32(44)39-27(21-25-14-8-5-9-15-25)36(48)42-19-11-16-28(42)33(45)37-22-30(43)41-18-10-17-29(41)34(46)40-31/h4-9,12-15,23,26-29,31H,3,10-11,16-22H2,1-2H3,(H,37,45)(H,38,47)(H,39,44)(H,40,46)/t23-,26-,27-,28-,29-,31-/m0/s1
SMILES [C@@H]12N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)CNC1=O)CCC3)[C@H](CC)C)Cc1ccccc1)Cc1ccccc1)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus Ref.
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