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 C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(=C)C1)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)C)C)C)(C=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax japonicus Ref.
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OrganismAcanthopanax japonicus
ReferencePark,Phytochem.,59,(2002),375