input word = C00043563

Metabolite InformationStructural formula
Name Gypenoside XLII
Formula C54H92O24
Mw 1124.59785387
CAS RN 94705-67-6
C_ID C00043563 ,
InChIKey WDHMPFPQXQYRHS-UHFFFAOYNA-N
InChICode InChI=1S/C54H92O24/c1-22(2)10-9-13-54(8,78-48-43(70)39(66)36(63)29(75-48)21-71-46-41(68)37(64)33(60)26(18-55)72-46)23-11-14-53(7)32(23)24(58)16-31-51(5)17-25(59)45(50(3,4)30(51)12-15-52(31,53)6)77-49-44(40(67)35(62)28(20-57)74-49)76-47-42(69)38(65)34(61)27(19-56)73-47/h10,23-49,55-70H,9,11-21H2,1-8H3/t23-,24-,25-,26-,27+,28-,29-,30+,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,42+,43+,44-,45-,46-,47-,48+,49+,51-,52-,53+,54+/m1/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[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)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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