input word = C00056808

Metabolite InformationStructural formula
Name Rutagravine
Formula C19H17NO5
Mw 339.11067266
CAS RN 101330-60-3
C_ID C00056808
InChIKey SWALXCKAJQTSAC-UHFFFAOYSA-N
InChICode InChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3
SMILES Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C1OCC(C)(O)C1O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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OrganismRuta graveolens
ReferenceNahrstedt, A. et al., Planta Med., 1985, 517-519 (isol, pmr, cmr, struct)