input word = C00027967

Metabolite InformationStructural formula
Name Broussonetine J
Formula C22H40N2O7
Mw 444.28355165
CAS RN 215117-17-2
C_ID C00027967 ,
InChIKey YIEPZDPKKNJALX-CKPZSVDJNA-N
InChICode InChI=1S/C22H40N2O7/c1-14(26)23-12-8-7-9-16(23)20(29)19(28)11-6-4-3-5-10-17-21(30)22(31)18(13-25)24(17)15(2)27/h16-22,25,28-31H,3-13H2,1-2H3/t16-,17+,18-,19+,20+,21-,22-/m1/s1
SMILES O[C@@H]1[C@@H](N([C@@H]([C@H]1O)CO)C(=O)C)CCCCCC[C@@H]([C@H]([C@@H]1N(CCCC1)C(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeMoraceaeBroussonetia kazinoki Ref.
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