input word = C00032397

Metabolite InformationStructural formula
Name Tricalysioside J
(-)-Tricalysioside J
Formula C26H42O10
Mw 514.27779756
CAS RN 874332-42-0
C_ID C00032397 ,
InChIKey XONCAQDLETZSOJ-HXOAXSQMNA-N
InChICode InChI=1S/C26H42O10/c1-23-7-6-17(29)24(2,11-28)15(23)5-8-25-9-13(3-4-16(23)25)26(34,22(25)33)12-35-21-20(32)19(31)18(30)14(10-27)36-21/h11,13-22,27,29-34H,3-10,12H2,1-2H3/t13-,14-,15+,16+,17-,18-,19+,20-,21?,22-,23-,24+,25-,26+/m1/s1
SMILES C[C@@]1(C=O)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
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