input word = C00027067

Metabolite InformationStructural formula
Name Segetalin A
(-)-Segetalin A
Formula C31H43N7O6
Mw 609.32748216
CAS RN 161875-97-4
C_ID C00027067 ,
InChIKey YVUZOKYOUUCVBV-XUANOIBINA-N
InChICode InChI=1S/C31H43N7O6/c1-16(2)25-30(43)35-22(13-19-14-32-21-10-7-6-9-20(19)21)28(41)34-18(5)27(40)33-15-24(39)36-26(17(3)4)31(44)38-12-8-11-23(38)29(42)37-25/h6-7,9-10,14,16-18,22-23,25-26,32H,8,11-13,15H2,1-5H3,(H,33,40)(H,34,41)(H,35,43)(H,36,39)(H,37,42)/t18-,22-,23-,25-,26-/m0/s1
SMILES N1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1c3c([nH]c1)cccc3)C(C)C)CCC2)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
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