input word = C00043562

Metabolite InformationStructural formula
Name Gypenoside LXXVII
Formula C41H70O13
Mw 770.48164232
CAS RN 110925-28-5
C_ID C00043562 ,
InChIKey OEMQITJTOWBBPI-UZABUFLBNA-N
InChICode InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(49)31(47)30(46)25(53-36)19-52-35-32(48)29(45)24(44)18-51-35)21-11-14-40(7)28(21)22(42)16-27-38(5)17-23(43)34(50)37(3,4)26(38)12-15-39(27,40)6/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,38-,39+,40+,41-/m0/s1
SMILES C1[C@H]2[C@]([C@]3([C@H]([C@@H]1O)[C@H](CC3)[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)(CCC=C(C)C)C)C)(CC[C@@H]1[C@@]2(C[C@H]([C@@H](C1(C)C)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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