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 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@@](C)(CO)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax nipponicus Ref.
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OrganismAcanthopanax nipponicus
ReferenceMiyakoshi,J.Nat.Prod.,62,(1999),445