input word = C00032694

Metabolite InformationStructural formula
Name Acantrifoside A
(-)-Acantrifoside A
Formula C48H78O18
Mw 942.51881569
CAS RN 215167-38-7
C_ID C00032694 ,
InChIKey PRIVMLKLQLQDPB-JVCQYVBTNA-N
InChICode InChI=1S/C48H78O18/c1-20(2)22-9-14-48(16-15-46(7)23(29(22)48)17-24(50)39-45(6)12-11-28(51)44(4,5)27(45)10-13-47(39,46)8)43(60)66-42-36(58)33(55)31(53)26(64-42)19-61-40-37(59)34(56)38(25(18-49)63-40)65-41-35(57)32(54)30(52)21(3)62-41/h21-42,49-59H,1,9-19H2,2-8H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,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)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax gracilistylus Ref.
PlantaeAraliaceaeAcanthopanax koreanum Ref.
PlantaeAraliaceaeAcanthopanax trifoliatus Ref.
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