Mrv1718012171816082D 64 67 0 0 0 0 999 V2000 -4.0314 -2.2871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2499 2.2912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5291 2.6953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7439 -2.6995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5291 3.5201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7439 -3.5201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9582 2.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -2.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 -3.9326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2415 3.9326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3150 -3.5201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9582 3.5201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5458 0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 1.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 -1.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3192 -1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2582 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8976 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1160 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9707 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -1.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9018 1.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8283 0.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6871 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4729 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4604 -2.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 3.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4604 -3.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3953 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2415 4.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 -4.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1128 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -0.9873 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6100 -0.2333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1086 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6704 3.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 -3.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3828 3.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 -4.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7647 1.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4771 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6954 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4613 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 -0.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8283 1.9493 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.9374 -2.5882 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 15 1 6 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 11 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 26 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 1 16 1 1 0 0 0 17 16 1 0 0 0 0 18 28 2 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 19 2 0 0 0 0 24 20 2 0 0 0 0 25 14 2 0 0 0 0 26 41 1 0 0 0 0 27 17 2 0 0 0 0 28 45 1 0 0 0 0 29 21 2 0 0 0 0 30 22 2 0 0 0 0 31 24 1 0 0 0 0 32 23 1 0 0 0 0 3 33 1 1 0 0 0 4 34 1 6 0 0 0 5 35 1 1 0 0 0 6 36 1 6 0 0 0 37 32 1 0 0 0 0 38 31 1 0 0 0 0 10 39 1 6 0 0 0 9 40 1 1 0 0 0 41 58 1 0 0 0 0 42 46 2 0 0 0 0 43 22 1 0 0 0 0 44 21 1 0 0 0 0 45 41 2 0 0 0 0 46 27 1 0 0 0 0 12 47 1 1 0 0 0 11 48 1 6 0 0 0 49 19 1 0 0 0 0 50 20 1 0 0 0 0 51 47 1 0 0 0 0 52 48 1 0 0 0 0 53 49 2 0 0 0 0 54 50 2 0 0 0 0 55 53 1 0 0 0 0 56 31 2 0 0 0 0 57 42 1 0 0 0 0 58 59 1 0 0 0 0 59 62 1 0 0 0 0 60 57 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 9 6 1 0 0 0 0 25 42 1 0 0 0 0 32 55 2 0 0 0 0 18 13 1 0 0 0 0 56 54 1 0 0 0 0 10 12 1 0 0 0 0 M CHG 4 43 -1 44 -1 63 1 64 1 M END > DBSALT002828 > drugbank > [Na+].[Na+].OC[C@H]1O[C@H](OC2=CC=C(CCCCCCC3=CC=C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C(=C3)C3=CC(CC([O-])=O)=CC=C3)C=C2C2=CC(CC([O-])=O)=CC=C2)[C@@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C46H54O16.2Na/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52;;/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52);;/q;2*+1/p-2/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+;;/m1../s1 > ZGEPTUZKSXWWAB-PNGDFCJYSA-L > C46H52Na2O16 > 906.886 > 906.30507415 > 16 > 116 > 89.49980637028962 > 0 > 8 > 0 > 0 > disodium 2-(5'-{6-[3'-(carboxymethyl)-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]hexyl}-2'-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl)acetate > 3.30 > 3.714563640666666 > -4.85 > 1 > 6 > -2 > 4.4528881967943565 > 3.8508282132067055 > -3.648395350150877 > 279.02 > 241.6126 > 19 > 0 > 1.29e-02 g/l > disodium (5'-{6-[3'-(carboxymethyl)-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]hexyl}-2'-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl)acetate > 0 > DBSALT002828 > Bimosiamose disodium > DB06197 > Bimosiamose > 187269-60-9 > 7AK2FKB9AW $$$$