input word = C00043565

Metabolite InformationStructural formula
Name Gypenoside XLVI
Formula C48H82O19
Mw 962.54503044
CAS RN 94705-70-1
C_ID C00043565 ,
InChIKey VENRSYBHHVDBDC-UHFFFAOYNA-N
InChICode InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-14-47(7)30(22)23(52)16-29-45(5)17-24(53)40(44(3,4)28(45)12-15-46(29,47)6)66-43-39(36(59)33(56)27(20-51)64-43)65-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,43+,45+,46+,47-,48+/m0/s1
SMILES C1[C@H]2[C@]([C@@]3([C@H]([C@@H]1O)[C@H](CC3)[C@@](O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)(C)CCC=C(C)C)C)(CC[C@@H]1[C@]2(C[C@H]([C@@H](C1(C)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
--Gymnostemma pentaphyllum Ref.
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