input word = C00035561

Metabolite InformationStructural formula
Name Chalepin
Formula C19H22O4
Mw 314.15180919
CAS RN 13164-04-0
C_ID C00035561 ,
InChIKey JCDLLLXYAICSQV-UHFFFAOYNA-N
InChICode InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1
SMILES c1(=O)c(cc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C)C(C)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeClausena anisata Ref.
PlantaeRutaceaeRuta chalepensis L. Ref.
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeStauranthus perforatus Ref.
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OrganismRuta chalepensis L.
ReferenceGonzalez,An.Quim.,73,(1977),430

Reisch,Tetrahedron Lett.,(1968),4395

El-Tawari,Pharmazie,35,(1980),503