input word = C00058694

Metabolite InformationStructural formula
Name Protochiisanoside
Formula C48H76O19
Mw 956.49808025
CAS RN 193206-28-9
C_ID C00058694
InChIKey CZQNMTFMTUDATG-YHCSLFOISA-N
InChICode InChI=1S/C48H76O19/c1-19(2)21-9-12-48(14-13-45(6)22(29(21)48)15-23(50)39-46(45,7)11-10-26-44(4,5)27(51)16-28(52)47(26,39)8)43(61)67-42-36(59)33(56)31(54)25(65-42)18-62-40-37(60)34(57)38(24(17-49)64-40)66-41-35(58)32(55)30(53)20(3)63-41/h20-26,28-42,49-50,52-60H,1,9-18H2,2-8H3/t20-,21-,22+,23+,24+,25+,26-,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)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax divaricatus Ref.
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