input word = C00032890

Metabolite InformationStructural formula
Name Davisioside
(-)-Davisioside
Formula C22H28O10
Mw 452.16824712
CAS RN 457653-66-6
C_ID C00032890 ,
InChIKey JWZUXOUZLUWWEO-PSNUWJSNNA-N
InChICode InChI=1S/C22H28O10/c23-9-15-17(25)18(26)19(27)22(31-15)32-21-16-12(8-14(24)13(16)6-7-29-21)10-30-20(28)11-4-2-1-3-5-11/h1-5,8,13-19,21-27H,6-7,9-10H2/t13-,14-,15+,16+,17-,18-,19+,21-,22-/m0/s1
SMILES O1CC[C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C(=C[C@@H]2O)COC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia davisiana Ref.
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OrganismGlobularia davisiana
ReferenceCalis,Chem.Pharm.Bull.,50,(2002),678