input word = C00057021

Metabolite InformationStructural formula
Name Quinceoxepine
Formula C12H18O
Mw 178.1357652
CAS RN 132925-10-1
C_ID C00057021
InChIKey JEUOOEBZKFVZGG-VOTSOKGWSA-N
InChICode InChI=1S/C12H18O/c1-10(2)6-7-12-9-11(3)5-4-8-13-12/h5-7,12H,1,4,8-9H2,2-3H3/b7-6+
SMILES CC1=CCCOC(/C=C/C(C)=C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCydonia oblonga Ref.
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OrganismCydonia oblonga
ReferenceEscher, S. et al., Helv. Chim. Acta, 1991, 74, 179 (isol, pmr, cmr, synth)