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 CCC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila arabica Ref.
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