input word = C00031738

Metabolite InformationStructural formula
Name Dianthin E
(-)-Dianthin E
Formula C30H44N6O7
Mw 600.3271478
CAS RN 763932-80-5
C_ID C00031738 ,
InChIKey NHNDCMROOPKDNF-XMXHAZOYNA-N
InChICode InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18-,20-,21-,22-,24-,25-/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)CO)[C@H](CC)C)CCC2)C(C)C)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus var.longicalycinus (MAXIM.) WILL Ref.
zoom in