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 C1[C@H]([C@@]([C@@H]2[C@@](C1)([C@H]1[C@@]3(CC2)C[C@@H](CC1)[C@]([C@@H]3O)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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