input word = C00053963

Metabolite InformationStructural formula
Name Aldehydomesitylene
Formula C10H12O
Mw 148.08881501
CAS RN 487-68-3
C_ID C00053963
InChIKey HIKRJHFHGKZKRI-UHFFFAOYSA-N
InChICode InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
SMILES Cc1cc(C)c(C=O)c(C)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeEryngium foetidum Ref.
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OrganismEryngium foetidum
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,1992, 2, 964A (nmr)