input word = C00032688

Metabolite InformationStructural formula
Name Acankoreoside A
Oplopanaxoside A
Formula C48H76O19
Mw 956.49808025
CAS RN 126594-50-1
C_ID C00032688 ,
InChIKey OSXJYFIVZQMFMF-ZJPDMQKNNA-N
InChICode InChI=1S/C48H76O19/c1-20(2)22-10-15-48(17-16-45(5)23(29(22)48)8-9-26-44(4)13-12-28(50)47(7,42(59)60)27(44)11-14-46(26,45)6)43(61)67-41-36(57)33(54)31(52)25(65-41)19-62-39-37(58)34(55)38(24(18-49)64-39)66-40-35(56)32(53)30(51)21(3)63-40/h21-41,49-58H,1,8-19H2,2-7H3,(H,59,60)/t21-,22-,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40-,41-,44+,45+,46+,47-,48-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H]([C@]3(C(=O)O)C)O)C)C)C)(CC[C@H]2C(=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 koreanum Ref.
PlantaeAraliaceaeAcanthopanax trifoliatus Ref.
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