Description
IUPAC Name: (2R,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
InChI: InChI=1S/C18H14O8/c19-10-4-2-9(7-12(10)21)16-15(18(24)25)14-8(3-6-13(22)23)1-5-11(20)17(14)26-16/h1-7,15-16,19-21H,(H,22,23)(H,24,25)/b6-3+/t15-,16+/m1/s1
InChIKey: GJHXGOBGPWPCCK-DBLORFJXSA-N
Canonical SMILES: C1=CC(=C(C=C1C2C(C3=C(C=CC(=C3O2)O)C=CC(=O)O)C(=O)O)O)O
Isomeric SMILES: C1=CC(=C(C=C1[C@H]2[C@@H](C3=C(C=CC(=C3O2)O)/C=C/C(=O)O)C(=O)O)O)O
Synonyms: Przewalskinic acid A; 136112-75-9; (2R,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid; HY-N5057; AKOS040760652; DA-66975; MS-25620; CS-0032214; …
Botanical Source: Salviae Miltiorrhizae Radix et Rhizoma