input word = C00043689

Metabolite InformationStructural formula
Name Lycoperoside H
Formula C50H83NO22
Mw 1049.54067335
CAS RN 675828-28-1
C_ID C00043689 ,
InChIKey RLEPKHOQRVRAFV-ONEUCGANNA-N
InChICode InChI=1S/C50H83NO22/c1-19-13-50(64)43(51-14-19)20(2)31-27(73-50)12-25-23-6-5-21-11-22(7-9-48(21,3)24(23)8-10-49(25,31)4)66-45-39(63)36(60)40(30(17-54)69-45)70-47-42(72-46-38(62)35(59)33(57)28(15-52)67-46)41(34(58)29(16-53)68-47)71-44-37(61)32(56)26(55)18-65-44/h19-47,51-64H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,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-,50+/m0/s1
SMILES [C@H]1(CN[C@@H]2[C@@](C1)(O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@H]1[C@H](CC2)[C@@]2([C@@H](CC1)C[C@H](CC2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)CO)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeLycopersicon esculentum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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