CHEBI:229975 - 3-hydroxy-3-(4-hydroxyphenyl)propanoate

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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 3-hydroxy-3-(4-hydroxyphenyl)propanoate
ChEBI ID CHEBI:229975
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB8100984, ChemicalBook:CB44634892, eMolecules:3715231, Selleckchem:quinapril-hydrochloride-accupril
Download Molfile XML SDF
Formula C9H9O4
Net Charge -1
Average Mass 181.168
Monoisotopic Mass 181.05063
InChI InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/p-1
InChIKey AKWHTKRUNUYXDS-UHFFFAOYSA-M
SMILES C=1C(=CC=C(C1)O)C(CC(=O)[O-])O
ChEBI Ontology
Outgoing 3-hydroxy-3-(4-hydroxyphenyl)propanoate (CHEBI:229975) is a monocarboxylic acid anion (CHEBI:35757)
3-hydroxy-3-(4-hydroxyphenyl)propanoate (CHEBI:229975) is conjugate base of Dihydroxyphenylpropionic acid (CHEBI:166658)
Incoming Dihydroxyphenylpropionic acid (CHEBI:166658) is conjugate acid of 3-hydroxy-3-(4-hydroxyphenyl)propanoate (CHEBI:229975)
Synonym Source
3-hydroxy-3-(4-hydroxyphenyl)propanoate UniProt