rosmarinic acid

Summary

rosmarinic acid is a group of stereoisomers^[1].

Key Facts

• rosmarinic acid's instance of is recorded as group of stereoisomers^[2].
• rosmarinic acid's CAS Registry Number is recorded as 537-15-5^[3].
• rosmarinic acid'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^[4].
• rosmarinic acid'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)/b6-3+^[5].
• rosmarinic acid's InChIKey is recorded as DOUMFZQKYFQNTF-ZZXKWVIFSA-N^[6].
• rosmarinic acid's chemical formula is recorded as C₁₈H₁₆O₈^[7].
• rosmarinic acid's subclass of is recorded as alkyl caffeate ester^[8].
• rosmarinic acid's MeSH descriptor ID is recorded as C041376^[9].
• rosmarinic acid's Freebase ID is recorded as /m/0265yqn^[10].
• rosmarinic acid's ChemSpider ID is recorded as 4474888^[11].
• rosmarinic acid's PubChem CID is recorded as 5315615^[12].
• rosmarinic acid's KEGG ID is recorded as C01850^[13].
• rosmarinic acid's ChEBI ID is recorded as 17226^[14].
• rosmarinic acid's different from is recorded as (R)-rosmarinic acid^[15].
• rosmarinic acid's different from is recorded as (S)-rosmarinic acid^[16].
• rosmarinic acid'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^[17].
• rosmarinic acid's Human Metabolome Database ID is recorded as HMDB0003572^[18].
• rosmarinic acid's HSDB ID is recorded as 7688^[19].
• rosmarinic acid's KNApSAcK ID is recorded as C00002770^[20].
• rosmarinic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+360.084517472'}^[21].
• rosmarinic acid's SureChEMBL ID is recorded as 19348^[22].
• rosmarinic acid's SureChEMBL ID is recorded as 1706786^[23].
• rosmarinic acid's CosIng number is recorded as 37536^[24].
• rosmarinic acid's DSSTox substance ID is recorded as DTXSID70896992^[25].
• rosmarinic acid's conjugate base is recorded as rosmarinate^[26].