Ketcher 09252009542D 1 1.00000 0.00000 0 52 56 0 1 0 999 V2000 8.2727 -12.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9154 -9.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5623 -10.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -14.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8578 -13.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8583 -12.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -8.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5158 -7.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8732 -9.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -8.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1374 -5.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8011 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -5.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -7.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -3.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 -2.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2727 -11.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8566 -12.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -11.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -12.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8569 -12.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -11.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5835 -10.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -13.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -11.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3571 -13.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3571 -11.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -12.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -10.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2261 -8.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3576 -13.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3576 -11.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 -7.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8578 -12.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -9.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8687 -7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -8.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -8.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8477 -6.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2006 -6.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -7.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 -6.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1585 -5.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5114 -5.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4904 -5.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 -5.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -6.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -5.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -5.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 -3.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 1 20 1 0 0 0 2 23 1 0 0 0 30 2 1 6 0 0 3 23 2 0 0 0 4 24 1 0 0 0 5 31 1 0 0 0 6 34 1 0 0 0 7 38 1 0 0 0 41 7 1 6 0 0 8 37 2 0 0 0 9 37 1 0 0 0 10 38 2 0 0 0 11 43 1 0 0 0 12 45 1 0 0 0 13 47 2 0 0 0 14 47 1 0 0 0 15 50 1 0 0 0 16 52 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 23 1 6 0 0 18 21 1 1 0 0 19 20 1 0 0 0 19 22 2 0 0 0 20 24 2 0 0 0 21 26 2 0 0 0 21 27 1 0 0 0 22 25 1 0 0 0 22 29 1 0 0 0 24 28 1 0 0 0 25 28 2 0 0 0 26 31 1 0 0 0 27 32 2 0 0 0 29 35 2 0 0 0 30 33 1 0 0 0 30 37 1 0 0 0 31 34 2 0 0 0 32 34 1 0 0 0 33 36 1 0 0 0 35 38 1 0 0 0 36 39 2 0 0 0 36 40 1 0 0 0 39 43 1 0 0 0 40 44 2 0 0 0 41 42 1 0 0 0 41 47 1 0 0 0 42 46 1 0 0 0 43 45 2 0 0 0 44 45 1 0 0 0 46 48 2 0 0 0 46 49 1 0 0 0 48 50 1 0 0 0 49 51 2 0 0 0 50 52 2 0 0 0 51 52 1 0 0 0 M END > CHEBI:134301 > salvianolic acid B > A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza > 3 > Lithospermic acid B; Lithospermate B; Danfensuan B; Dan Shen Suan B > (2R)-2-({(2E)-3-[(2S,3S)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid > C36H30O16 > 718.620 > 718.15338 > 0 > OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=C2[C@@H]([C@H](OC2=C(O)C=C1)C1=CC(O)=C(O)C=C1)C(=O)O[C@H](CC1=CC(O)=C(O)C=C1)C(O)=O > InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1 > SNKFFCBZYFGCQN-VWUOOIFGSA-N > 121521-90-2 > 8182741 > 121521-90-2 > C00031982 > 1414377; 16933885; 27278104; 27424655; 27442887; 27484287; 27490455; 27497919; 27507327; 27513569; 27557491; 27569393; 27586425; 27592492; 27614127; 27670752; 27716647; 27779641; 27827892; 27843313; 27852325; 27893819; 27941340; 27973422; 27989594; 28000873; 28072989; 28116660; 28178753; 28211114; 28214521; 28244648; 28251987; 28254683 $$$$