input word = C00002169

Metabolite InformationStructural formula
Name Graveoline
Formula C17H13NO3
Mw 279.08954329
CAS RN 485-61-0
C_ID C00002169 ,
InChIKey COBBNRKBTCBWQP-UHFFFAOYSA-N
InChICode InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
SMILES c1ccc2c(c1)c(=O)cc(n2C)c1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum dubium Eug.Kor. Ref.
PlantaeRutaceaeHaplophyllum foliosum Vved. Ref.
PlantaeRutaceaeHaplophyllum perforatum Ref.
PlantaeRutaceaeRuta angustifolia Ref.
PlantaeRutaceaeRuta bracteosa Ref.
PlantaeRutaceaeRuta chalepensis Ref.
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeRuta graveolensis Ref.
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