丹酚酸 H(444179-57-1)名称与标识符
名称
英文别名:
丹酚酸 H;Isomelitric acid A;2-[(E)-3-[3-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-4-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid;Salvianolic acid H;Isoschizotenuin E;3'-O-(8''-Z-caffeoyl)rosmarinic acid;(2Z)-2-{5-[(1E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid;444179-57-1;CHEBI:191825;CHEMBL463829;(2R)-2-[(E)-3-[3-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)vinyloxy]-4-hydroxy-phenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid;(+)-Salvianolic acid H;
标识符
InChIKey:
HFTLCJIFEZUOCR-JKXXRSRDSA-N
Inchi:
1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-
SMILES:
O(C(/C(/[H])=C(\[H])/C1C([H])=C([H])C(=C(C=1[H])O/C(/C(=O)O[H])=C(/[H])\C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])O[H])=O)C([H])(C(=O)O[H])C([H])([H])C1C([H])=C([H])C(=C(C=1[H])O[H])O[H]