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 C1C[C@@]([C@@H]2[C@@]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)([C@@H]1[C@@]3(CC2)C[C@@H](CC1)[C@]([C@@H]3O)(CO)O)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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OrganismTricalysia dubia OHWI
ReferenceOtuka,Chem.Pharm.Bull.,55,(2007),1600