input word = C00042992

Metabolite InformationStructural formula
Name Segetalin H
Formula C29H38N8O7
Mw 610.28634563
CAS RN 183735-05-9
C_ID C00042992 ,
InChIKey MFTFAHIWRYRALU-KQGHIICLNA-N
InChICode InChI=1S/C29H38N8O7/c30-29(31)32-12-4-7-20-26(42)36-22(13-17-5-2-1-3-6-17)28(44)37-23(16-38)25(41)33-15-24(40)34-21(27(43)35-20)14-18-8-10-19(39)11-9-18/h1-3,5-6,8-11,20-23,38-39H,4,7,12-16H2,(H,33,41)(H,34,40)(H,35,43)(H,36,42)(H,37,44)(H4,30,31,32)/t20-,21+,22-,23-/m0/s1
SMILES N=C(N)NCCC[C@@H]1NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
zoom in