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=C(C)[C@@H]1CC[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@H](C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax koreanum Ref.
PlantaeAraliaceaeAcanthopanax trifoliatus Ref.
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