input word = C00026605

Metabolite InformationStructural formula
Name Withanamide B
Formula C38H62N2O13
Mw 754.42519008
CAS RN 702702-41-8
C_ID C00026605 ,
InChIKey QVAMYBXJCFOQLK-KXOCSZECNA-N
InChICode InChI=1S/C38H62N2O13/c1-23(42)13-11-9-7-5-3-2-4-6-8-10-12-14-30(43)39-18-17-24-20-40-27-16-15-25(19-26(24)27)51-38-36(49)34(47)32(45)29(53-38)22-50-37-35(48)33(46)31(44)28(21-41)52-37/h15-16,19-20,23,28-29,31-38,40-42,44-49H,2-14,17-18,21-22H2,1H3,(H,39,43)/t23-,28-,29-,31-,32-,33+,34-,35+,36+,37-,38-/m1/s1
SMILES CC(O)CCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)[C@@H](O)C(O)[C@@H]3O)cc12
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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