input word = C00057351

Metabolite InformationStructural formula
Name Quinquenoside F1
Formula C42H74O15
Mw 818.5027717
CAS RN 336161-28-5
C_ID C00057351
InChIKey UGMWBGKFEUXCMG-ZYMJOECZSA-N
InChICode InChI=1S/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1
SMILES C[C@]12CC[C@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(C)(C)[C@]1([H])CC[C@@]5(C)[C@@](CC[C@]6([H])[C@](O)(C)CCC(O)C(C)(O)C)(C)[C@]6([H])[C@H](O)C[C@]25[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolius Ref.
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