input word = C00039319

Metabolite InformationStructural formula
Name Gypsin B
(-)-Gypsin B
Formula C36H46N6O7
Mw 674.34279787
CAS RN 1039076-67-9
C_ID C00039319 ,
InChIKey XQVZNPAWHHECNJ-CYOIZLNZNA-N
InChICode InChI=1S/C36H46N6O7/c1-3-22(2)31-36(49)42-18-8-12-29(42)34(47)38-26(19-24-13-15-25(43)16-14-24)32(45)39-27(20-23-9-5-4-6-10-23)35(48)41-17-7-11-28(41)33(46)37-21-30(44)40-31/h4-6,9-10,13-16,22,26-29,31,43H,3,7-8,11-12,17-21H2,1-2H3,(H,37,46)(H,38,47)(H,39,45)(H,40,44)/t22-,26-,27-,28-,29-,31-/m0/s1
SMILES [C@@H]12N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)CNC1=O)[C@@H](C)CC)CCC3)Cc1ccc(cc1)O)Cc1ccccc1)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila arabica Ref.
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