input word = C00060646

Metabolite InformationStructural formula
Name 3-(1,1-Dimethylallyl)scopoletin
Formula C15H16O4
Mw 260.104859
CAS RN 19723-23-0
C_ID C00060646
InChIKey NEUWPSXOYGGGFO-UHFFFAOYSA-N
InChICode InChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3
SMILES C=CC(C)(C)c1cc2cc(OC)c(O)cc2oc1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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