input word = C00026611

Metabolite InformationStructural formula
Name Withanamide H
Formula C40H58N2O13
Mw 774.39388995
CAS RN 702702-59-8
C_ID C00026611 ,
InChIKey ADWDXCCYYOMYSV-JLFTVQEONA-N
InChICode InChI=1S/C40H58N2O13/c1-25(44)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-32(45)41-20-19-26-22-42-29-18-17-27(21-28(26)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h2-3,6-9,13,15,17-18,21-22,25,30-31,33-40,42-44,46-51H,4-5,10-12,14,16,19-20,23-24H2,1H3,(H,41,45)/b3-2-,8-6-,9-7-,15-13-/t25-,30+,31-,33-,34-,35-,36-,37+,38+,39-,40-/m1/s1
SMILES O1[C@@H](OC[C@H]2O[C@@H](Oc3ccc4c(c3)c(c[nH]4)CCNC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\[C@H](O)C)[C@@H](O)[C@@H]([C@@H]2O)O)[C@@H](O)[C@@H]([C@@H]([C@@H]1CO)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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