input word = C00022260

Metabolite InformationStructural formula
Name Galeopsin
Formula C22H32O5
Mw 376.22497413
CAS RN 76475-16-6
C_ID C00022260 ,
InChIKey CVAJBQDXBZONMK-FOYKNWQNNA-N
InChICode InChI=1S/C22H32O5/c1-15(23)27-21(5)18(24)13-17-19(2,3)9-6-10-20(17,4)22(21,25)11-7-16-8-12-26-14-16/h8,12,14,17,25H,6-7,9-11,13H2,1-5H3/t17-,20-,21-,22-/m0/s1
SMILES CC(=O)O[C@@]1(C)C(=O)CC2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeGaleopsis angustifolia Ref.
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
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OrganismLeonurus heterophyllus SW.
ReferenceGiang,Chem.Pharm.Bull.,55,(2005),938