input word = C00026610

Metabolite InformationStructural formula
Name Withanamide G
Formula C38H60N2O13
Mw 752.40954002
CAS RN 702702-58-7
C_ID C00026610 ,
InChIKey ZOHQQMBSUYRNTF-QDOAVDSLNA-N
InChICode InChI=1S/C38H60N2O13/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/h3,5,15-16,19-20,23,28-29,31-38,40-42,44-49H,2,4,6-14,17-18,21-22H2,1H3,(H,39,43)/b5-3-/t23-,28-,29+,31-,32-,33+,34-,35+,36+,37-,38-/m1/s1
SMILES O1[C@@H](OC[C@@H]2O[C@@H](Oc3ccc4c(c3)c(c[nH]4)CCNC(=O)CCCCCCC/C=C\CCCC[C@@H](C)O)[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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