CHEBI:235425 - Ring-(13)C6 Methylparaben

ChEBI IDCHEBI:235425
ChEBI NameRing-(13)C6 Methylparaben
Stars
Submitterjhunter
DownloadsMolfile
FormulaC2[13C6]H8O3
Net Charge0
Average Mass158.103
Monoisotopic Mass158.06747
SMILESCOC(=O)[13c]1[13cH][13cH][13c](O)[13cH][13cH]1
InChIInChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
InChIKeyLXCFILQKKLGQFO-WBJZHHNVSA-N
ChEBI Ontology
Outgoing Relation(s)
Ring-(13)C6 Methylparaben (CHEBI:235425) is a 4-hydroxybenzoate ester (CHEBI:79323)