rosmarinate
chemical compound
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rosmarinate
Summary
rosmarinate is a group of stereoisomers[1].
Key Facts
- rosmarinate's instance of is recorded as group of stereoisomers[2].
- rosmarinate's canonical SMILES is recorded as C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O[3].
- rosmarinate's InChI is recorded as 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+[4].
- rosmarinate's InChIKey is recorded as DOUMFZQKYFQNTF-ZZXKWVIFSA-M[5].
- rosmarinate's chemical formula is recorded as C₁₈H₁₅O₈⁻[6].
- rosmarinate's subclass of is recorded as carboxylate anion[7].
- rosmarinate's subclass of is recorded as monoanion[8].
- rosmarinate's ChemSpider ID is recorded as 4474887[9].
- rosmarinate's PubChem CID is recorded as 5315614[10].
- rosmarinate's ChEBI ID is recorded as 58062[11].
- rosmarinate's isomeric SMILES is recorded as C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O[12].
- rosmarinate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+359.077'}[13].
- rosmarinate's conjugate acid is recorded as rosmarinic acid[14].
- rosmarinate's UniChem compound ID is recorded as 1096375[15].