input word = C00032690

Metabolite InformationStructural formula
Name Acankoreoside B
(-)-Acankoreoside B
Formula C48H78O19
Mw 958.51373031
CAS RN 203644-86-4
C_ID C00032690 ,
InChIKey XYDCJMKAJBEFAM-DGYBCKEPNA-N
InChICode InChI=1S/C48H78O19/c1-20(2)22-8-13-48(15-14-46(6)23(29(22)48)16-24(51)39-44(4)11-10-28(52)45(5,19-50)27(44)9-12-47(39,46)7)43(61)67-42-36(59)33(56)31(54)26(65-42)18-62-40-37(60)34(57)38(25(17-49)64-40)66-41-35(58)32(55)30(53)21(3)63-41/h21-42,49-60H,1,8-19H2,2-7H3/t21-,22-,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1C[C@H]([C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H]([C@]3(CO)C)O)C)C)O)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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