Mrv1572004161616442D 28 29 0 0 0 0 999 V2000 3.5417 -0.2018 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.9974 -1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 0.6197 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 1.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 1.0376 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8713 0.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1487 1.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 0.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1308 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 -0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -0.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 0.2090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3020 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > DBSALT000062 > drugbank > [Na+].[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S([O-])(=O)=O > InChI=1S/C20H28O5S.Na/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+1/p-1/t17-,19-,20-;/m1./s1 > RCVIHORGZULVTN-YGJXXQMASA-M > C20H27NaO5S > 402.48 > 402.14768942 > 5 > 54 > 40.82415718021109 > 1 > 1 > 0 > 1 > sodium (4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3-sulfonate > 3.55 > 4.929671444666667 > -5.24 > 0 > 3 > -2 > 3.8910622691475085 > -1.4779680286063401 > 94.50000000000001 > 98.9448 > 3 > 1 > 2.30e-03 g/l > sodium (4bS,8R,8aR)-8-carboxy-2-isopropyl-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate > 0 > DBSALT000062 > Ecabet sodium > DB05265 > Ecabet > 86408-72-2 > 51MO2B2OSB $$$$