input word = C00049238

Metabolite InformationStructural formula
Name Nipponoside D
(-)-Nipponoside D
Formula C48H78O19
Mw 958.51373031
CAS RN 223260-27-3
C_ID C00049238 ,
InChIKey RQRYZGLUHFCIEV-LZHUVODGNA-N
InChICode InChI=1S/C48H78O19/c1-22-30(53)32(55)35(58)40(63-22)66-38-25(18-49)64-39(37(60)34(38)57)62-19-26-31(54)33(56)36(59)41(65-26)67-42(61)48-15-13-43(2,20-50)17-24(48)23-7-8-28-44(3)11-10-29(52)45(4,21-51)27(44)9-12-47(28,6)46(23,5)14-16-48/h7,22,24-41,49-60H,8-21H2,1-6H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,43+,44-,45-,46+,47+,48-/m0/s1
SMILES C1[C@@H]2[C@](CC[C@@]1(C)CO)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H]([C@@]1(C)CO)O)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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