input word = C00032404

Metabolite InformationStructural formula
Name Tricalysioside Q
(-)-Tricalysioside Q
Formula C26H42O11
Mw 530.27271219
CAS RN 1002111-56-9
C_ID C00032404 ,
InChIKey LEKTUMKPHTXIPV-XQONJGFANA-N
InChICode InChI=1S/C26H42O11/c1-23(22(33)34)7-6-16(37-20-19(31)18(30)17(29)13(10-27)36-20)24(2)14(23)5-8-25-9-12(3-4-15(24)25)26(35,11-28)21(25)32/h12-21,27-32,35H,3-11H2,1-2H3,(H,33,34)/t12-,13-,14-,15-,16+,17-,18+,19-,20+,21-,23-,24-,25-,26+/m1/s1
SMILES CC1(C(=O)O)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
zoom in