input word = C00043832

Metabolite InformationStructural formula
Name Polygonatoside C
(-)-Polygonatoside C
Formula C39H50O15
Mw 758.31497093
CAS RN 824950-62-1
C_ID C00043832 ,
InChIKey HPTXQTQVCDPYLH-UYNXYPIBNA-N
InChICode InChI=1S/C39H60O15/c1-17-28-24(54-39(17)9-6-18(13-40)16-49-39)11-23-21-5-4-19-10-20(7-8-37(19,2)22(21)12-27(43)38(23,28)3)50-35-33(48)31(46)34(26(15-42)52-35)53-36-32(47)30(45)29(44)25(14-41)51-36/h4,17-18,20-26,28-36,40-42,44-48H,5-16H2,1-3H3/t17-,18-,20-,21+,22-,23-,24-,25+,26+,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+/m0/s1
SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]12CC[C@@H](CO)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaePolygonatum zanlanscianense Ref.
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