input word = C00048597

Metabolite InformationStructural formula
Name Aginoside
Formula C50H82O24
Mw 1066.51960355
CAS RN 61478-50-0
C_ID C00048597 ,
InChIKey REIZDYUGEPBIJP-ULYJVCIVNA-N
InChICode InChI=1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,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-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)O[C@]3([C@H]1C)OC[C@@H](CC3)C)C)C[C@H]([C@@H]1[C@@]2(C[C@H]([C@@H](C1)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)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium ampeloprasum Ref.
PlantaeAlliaceaeAllium giganteum Ref.
PlantaeAlliaceaeAllium leucanthum Ref.
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