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 C1(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H]1Cc1ccc(cc1)O)CO)Cc1ccccc1)CCCNC(=N)N
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeVaccaria segetalis Ref.
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