input word = C00052832

Metabolite InformationStructural formula
Name Asparaside A
Formula C51H86O23
Mw 1066.55598906
CAS RN 1685285-93-1
C_ID C00052832
InChIKey BCEQHMUCQRNLQI-ZLAXBQKQSA-N
InChICode InChI=1S/C51H86O23/c1-20(66-45-40(62)36(58)34(56)29(17-52)69-45)9-14-51(65-6)21(2)32-28(74-51)16-27-25-8-7-23-15-24(10-12-49(23,4)26(25)11-13-50(27,32)5)68-46-42(64)39(61)43(31(19-54)71-46)72-48-44(38(60)33(55)22(3)67-48)73-47-41(63)37(59)35(57)30(18-53)70-47/h20-48,52-64H,7-19H2,1-6H3/t20-,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+,51-/m1/s1
SMILES O[C@H]([C@@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)O[C@H]1O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4C[C@](CC[C@]5([H])[C@]6([H])CC[C@@]7(C)[C@@]5([H])C[C@@]8([H])[C@]7([H])[C@H](C)[C@](CC[C@@H](C)O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)(OC)O8)([H])[C@]6(C)CC4)O[C@@H]3CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
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