input word = C00036677

Metabolite InformationStructural formula
Name Acanjaposide B
(+)-Acanjaposide B
Formula C47H72O18
Mw 924.4718655
CAS RN 346722-16-5
C_ID C00036677 ,
InChIKey MLWNDZPJHCBVPM-RWKSZYQRNA-N
InChICode InChI=1S/C47H72O18/c1-21-9-14-47(16-15-45(5)23(24(47)17-21)7-8-28-43(3)12-11-29(50)44(4,20-49)27(43)10-13-46(28,45)6)42(59)65-41-36(57)33(54)31(52)26(63-41)19-60-39-37(58)34(55)38(25(18-48)62-39)64-40-35(56)32(53)30(51)22(2)61-40/h7,20,22,24-41,48,50-58H,1,8-19H2,2-6H3/t22-,24-,25+,26+,27+,28+,29-,30-,31-,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,43-,44-,45+,46+,47-/m0/s1
SMILES C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax japonicus Ref.
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