input word = C00043561

Metabolite InformationStructural formula
Name Gypenoside LXXI
Formula C53H90O23
Mw 1094.58728918
CAS RN 109145-67-7
C_ID C00043561 ,
InChIKey NOEAFFHDHXAEOL-UHFFFAOYNA-N
InChICode InChI=1S/C53H90O23/c1-22(2)10-9-13-53(8,76-47-42(68)38(64)36(62)29(73-47)21-70-45-40(66)33(59)26(58)20-69-45)23-11-14-52(7)32(23)24(56)16-31-50(5)17-25(57)44(49(3,4)30(50)12-15-51(31,52)6)75-48-43(39(65)35(61)28(19-55)72-48)74-46-41(67)37(63)34(60)27(18-54)71-46/h23-48,54-68H,1,9-21H2,2-8H3/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-,50+,51+,52-,53+/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)CCCC(=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.
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