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CHEBI:229973 - 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate

ChEBI IDCHEBI:229973
ChEBI Name3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate
Stars
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H11O5
Net Charge-1
Average Mass211.193
Monoisotopic Mass211.06120
SMILESCOc1cc(C(O)CC(=O)[O-])ccc1O
InChIInChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)11)8(12)5-10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)/p-1
InChIKeyABTZMSOARGMKMK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973) is a monocarboxylic acid anion (CHEBI:35757)
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973) is conjugate base of 3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935)
Incoming Relation(s)
3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935) is conjugate acid of 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973)
UniProt Name  Source
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoateUniProt
Citations