input word = C00049235

Metabolite InformationStructural formula
Name Nipponoside A
(-)-Nipponoside A
Formula C48H76O18
Mw 940.50316563
CAS RN 223260-25-1
C_ID C00049235 ,
InChIKey SBLKYMYNIMEMGY-YQRNMGTRNA-N
InChICode InChI=1S/C48H76O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-28,30-41,49-50,52-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CCC(=O)[C@@]1(C)CO)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax nipponicus Ref.
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