input word = C00058327

Metabolite InformationStructural formula
Name 22alpha-Hydroxychiisanoside
Formula C48H74O20
Mw 970.47734481
CAS RN 193093-80-0
C_ID C00058327
InChIKey JRAXRVXXMWPYCA-SWOUHPEQSA-N
InChICode InChI=1S/C48H74O20/c1-18(2)21-13-28(51)48(12-11-45(6)23(30(21)48)14-24-40-46(45,7)10-9-22(19(3)4)47(40,8)27(50)15-29(52)64-24)44(61)68-43-37(59)34(56)32(54)26(66-43)17-62-41-38(60)35(57)39(25(16-49)65-41)67-42-36(58)33(55)31(53)20(5)63-42/h20-28,30-43,49-51,53-60H,1,3,9-17H2,2,4-8H3/t20-,21-,22-,23+,24+,25+,26+,27+,28-,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40-,41+,42-,43-,45+,46+,47+,48+/m0/s1
SMILES C=C(C)[C@@H]1C[C@H](O)[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]4OC(=O)C[C@@H](O)[C@]5(C)[C@@H]4[C@@]3(C)CC[C@H]5C(=C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax divaricatus Ref.
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