input word = C00054444

Metabolite InformationStructural formula
Name Citrusal
Formula C15H16O4
Mw 260.104859
CAS RN 5980-07-4
C_ID C00054444
InChIKey VCYVDHAWDPDCKW-UHFFFAOYSA-N
InChICode InChI=1S/C15H16O4/c1-15(2,9-16)8-11-12(18-3)6-4-10-5-7-13(17)19-14(10)11/h4-7,9H,8H2,1-3H3
SMILES O=C(C=C1)OC2=C1C=CC(OC)=C2CC(C)(C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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OrganismCitrus paradisi
ReferenceFisher, J.F. et al., Tetrahedron, 1966, 22, 1489 (isol, ir, uv, pmr, ms)