input word = C00043559

Metabolite InformationStructural formula
Name Gypenoside LVII
Formula C47H80O18
Mw 932.53446575
CAS RN 105239-70-1
C_ID C00043559 ,
InChIKey GELOPBLVWSJPGZ-UHFFFAOYNA-N
InChICode InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-42-38(59)35(56)33(54)27(63-42)20-61-40-36(57)31(52)25(51)19-60-40)22-11-14-46(7)30(22)23(49)16-29-44(5)17-24(50)39(43(3,4)28(44)12-15-45(29,46)6)64-41-37(58)34(55)32(53)26(18-48)62-41/h10,22-42,48-59H,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+,44-,45+,46-,47-/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]1OC[C@H]([C@H]([C@H]1O)O)O)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)O)O)CO)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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