(1S)-(4-Acetylphenyl)-1,2-ethanediol (CHEBI:225166)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(1S)-(4-Acetylphenyl)-1,2-ethanediol

ChEBI ID	CHEBI:225166

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C10H12O3

Net Charge

Average Mass

180.203

Monoisotopic Mass

180.07864

InChI

InChI=1S/C10H12O3/c1-7(12)8-2-4-9(5-3-8)10(13)6-11/h2-5,10-11,13H,6H2,1H3/t10-/m1/s1

InChIKey

VFYMSAONOBWBNN-SNVBAGLBSA-N

SMILES

O=C(C1=CC=C([C@H](O)CO)C=C1)C

Metabolite of Species	Details
Boletus edulis (NCBI:txid36056)	See: PubMed

ChEBI Ontology
Outgoing	(1S)-(4-Acetylphenyl)-1,2-ethanediol (CHEBI:225166) is a aromatic ketone (CHEBI:76224)

IUPAC Name

1-[4-[(1S)-1,2-dihydroxyethyl]phenyl]ethanone