CHEBI:143748 - 2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)acetic acid
ChEBI ID CHEBI:143748
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C15H18O3
Net Charge 0
Average Mass 246.302
Monoisotopic Mass 246.126
InChI InChI=1S/C15H18O3/c1-18-13-9-7-12(8-10-13)14(15(16)17)11-5-3-2-4-6-11/h5,7-10,14H,2-4,6H2,1H3,(H,16,17)/t14-/m0/s1
InChIKey QSIOKMFRNDBUFC-AWEZNQCLSA-N
SMILES O=C(O)[C@H](C1=CC=C(OC)C=C1)C2=CCCCC2
Metabolite of Species Details
Bathymodiolus (NCBI:txid12965) Found in gill filament {BTO:0002150 See: MetaboLights Study
ChEBI Ontology
Outgoing 2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)acetic acid (CHEBI:143748) is a methoxybenzenes (CHEBI:51683)