input word = C00003188

Metabolite InformationStructural formula
Name alpha-Sinensal
Formula C15H22O
Mw 218.16706532
CAS RN 17909-77-2
C_ID C00003188 ,
InChIKey PFSTYGCNVAVZBK-JQGMZEBDSA-N
InChICode InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+
SMILES C(=O)/C(=C/CC/C(=C/C/C=C(/C=C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus chinensis Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus retuculata Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus spp. Ref.
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OrganismCitrus spp.
ReferenceStevens, K.L. et al., JOC, 1965, 30, 1690 (isol, struct)