input word = C00034241

Metabolite InformationStructural formula
Name Shatavarin I
Asparoside B
(-)-Asparoside B
Formula C51H86O23
Mw 1066.55598906
CAS RN 84633-36-3
C_ID C00034241 ,
InChIKey YLKFQDKSCLMOGF-UTLKNPTPNA-N
InChICode InChI=1S/C51H86O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-47-41(63)38(60)35(57)30(17-53)70-47)42(64)43(31(18-54)71-48)72-46-40(62)36(58)33(55)22(3)67-46/h20-48,52-65H,6-19H2,1-5H3/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+/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]([C@H]1C)(O)CC[C@@H](CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
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