input word = C00054858

Metabolite InformationStructural formula
Name Aegelinol
Formula C14H14O4
Mw 246.08920894
CAS RN 21860-31-1
C_ID C00054858
InChIKey BGXFQDFSVDZUIW-GFCCVEGCSA-N
InChICode InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m1/s1
SMILES CC1([C@H](O)CC2=C(O1)C=C(O3)C(C=CC3=O)=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAegle marmelos Ref.
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OrganismAegle marmelos
ReferenceLemmich, J. et al., Acta Chem. Scand., 1966, 20, 2497 (Agasyllin, isol)