input word = C00053922

Metabolite InformationStructural formula
Name Celereoin
Formula C14H14O5
Mw 262.08412356
CAS RN 74560-02-4
C_ID C00053922
InChIKey WCBFKVBQHXJRCX-UHFFFAOYSA-N
InChICode InChI=1S/C14H14O5/c1-14(2,17)11-5-8-10(18-11)6-9-7(13(8)16)3-4-12(15)19-9/h3-4,6,11,16-17H,5H2,1-2H3
SMILES CC(C)(O)C1CC2=C(O)C3=C(OC(C=C3)=O)C=C2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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OrganismApium graveolens
ReferenceAbyshev, A.Z.Khim. Prir. Soedin., 1980, 16, 250-251 (Jumutinol)