input word = C00035154

Metabolite InformationStructural formula
Name Racemoside A
(-)-Racemoside A
Formula C51H84O22
Mw 1048.54542437
CAS RN 905929-89-7
C_ID C00035154 ,
InChIKey SJWPDTJDCFSPLW-YYWXFXGDNA-N
InChICode InChI=1S/C51H84O22/c1-20-8-13-51(66-17-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-47-43(63)39(59)44(31(71-47)19-65-46-41(61)37(57)34(54)29(16-52)69-46)72-48-42(62)38(58)35(55)30(70-48)18-64-45-40(60)36(56)33(53)22(3)67-45/h20-48,52-63H,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@]2([C@H]1C)OC[C@H](CC2)C)C)C)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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
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OrganismAsparagus racemosus
ReferenceMandal,Phytochem.,67,(2006),1316