input word = C00058124

Metabolite InformationStructural formula
Name Soystatin
Formula C44H54N8O8S
Mw 854.37853149
CAS RN 510725-34-5
C_ID C00058124
InChIKey KPFNYWOBQUAVBG-RFFIAGBUSA-N
InChICode InChI=1S/C44H54N8O8S/c1-24(2)38(45)43(58)48-25(3)39(54)50-35(20-27-22-46-32-11-7-5-9-30(27)32)42(57)51-36(21-28-23-47-33-12-8-6-10-31(28)33)41(56)49-34(17-18-61-4)40(55)52-37(44(59)60)19-26-13-15-29(53)16-14-26/h5-16,22-25,34-38,46-47,53H,17-21,45H2,1-4H3,(H,48,58)(H,49,56)(H,50,54)(H,51,57)(H,52,55)(H,59,60)/t25-,34-,35-,36-,37-,38-/m0/s1
SMILES CC(C)[C@H](N)C(N[C@@H](C)C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N[C@@H](CCSC)C(N[C@@H](CC5=CC=C(O)C=C5)C(O)=O)=O)=O)=O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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