CHEBI:58062 - rosmarinate

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ChEBI Name rosmarinate ChEBI ID CHEBI:58062 Definition The conjugate base of rosmarinic acid; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H15O8 Net Charge -1 Average Mass 359.30690 Monoisotopic Mass 359.07724 InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/p-1/b6-3+ InChIKey DOUMFZQKYFQNTF-ZZXKWVIFSA-M SMILES Oc1ccc(CC(OC(=O)\C=C\c2ccc(O)c(O)c2)C([O-])=O)cc1O ChEBI Ontology Outgoing rosmarinate (CHEBI:58062) is a monocarboxylic acid anion (CHEBI:35757) rosmarinate (CHEBI:58062) is conjugate base of rosmarinic acid (CHEBI:17226) Incoming (R)-rosmarinate (CHEBI:71493) is a rosmarinate (CHEBI:58062) rosmarinic acid (CHEBI:17226) is conjugate acid of rosmarinate (CHEBI:58062) IUPAC Name 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoate Synonyms Sources rosmarinate anion ChEBI rosmarinate(1−) ChEBI Last Modified 11 January 2013