772 Mrv0541 02231214392D 70 73 0 0 1 0 999 V2000 5.2224 2.7597 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.1096 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.3654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.3654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -2.1904 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -3.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 2.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 3.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 2.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 3.4742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 2.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 1.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0969 -2.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 -0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -3.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 2.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -2.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -3.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1924 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5423 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.3472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 2.3472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 2.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 2 0 0 0 0 1 27 2 0 0 0 0 1 43 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 2 29 2 0 0 0 0 2 30 2 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 3 33 2 0 0 0 0 3 34 2 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 4 38 2 0 0 0 0 4 39 2 0 0 0 0 5 22 1 0 0 0 0 5 40 1 0 0 0 0 5 41 2 0 0 0 0 5 42 2 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 48 1 0 0 0 0 7 50 1 0 0 0 0 8 47 1 0 0 0 0 8 56 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 53 1 0 0 0 0 10 55 1 0 0 0 0 11 46 1 0 0 0 0 12 58 1 0 0 0 0 12 63 1 0 0 0 0 13 56 1 0 0 0 0 13 65 1 0 0 0 0 14 52 1 0 0 0 0 15 51 1 0 0 0 0 16 57 1 0 0 0 0 17 61 1 0 0 0 0 18 60 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 21 64 1 0 0 0 0 22 67 1 0 0 0 0 23 66 1 0 0 0 0 25 66 2 0 0 0 0 32 68 1 0 0 0 0 35 68 2 0 0 0 0 37 69 2 0 0 0 0 43 45 1 0 0 0 0 44 59 1 0 0 0 0 44 69 1 0 0 0 0 45 46 1 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 47 49 1 0 0 0 0 49 60 1 0 0 0 0 50 51 1 0 0 0 0 50 54 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 54 66 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 56 61 1 0 0 0 0 57 59 1 0 0 0 0 58 67 1 0 0 0 0 59 63 1 0 0 0 0 61 62 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 68 1 0 0 0 0 69 70 1 0 0 0 0 M END > DB00407 > drugbank > CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O > InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54) > InChIKey=HTTJABKRGRZYRN-UHFFFAOYSA-N > 33 > 93.37121931259014 > 0 > 15 > 1134.006993818 > 0 > C26H42N2O37S5 > 0 > 3-[(5-{[6-carboxy-4,5-dihydroxy-3-(sulfooxy)oxan-2-yl]oxy}-6-(hydroxymethyl)-3-(sulfoamino)-4-(sulfooxy)oxan-2-yl)oxy]-6-({5-acetamido-4,6-dihydroxy-2-[(sulfooxy)methyl]oxan-3-yl}oxy)-4-hydroxy-5-(sulfooxy)oxane-2-carboxylic acid > -1.68 > -8.346764036666666 > -2.02 > 1134.928 > 1 > 4 > -7 > -2.366429813085472 > -2.7919991556295782 > 610.4900000000001 > 195.90819999999988 > 20 > 0 > 1.08e+01 g/l > 3-[(5-{[6-carboxy-4,5-dihydroxy-3-(sulfooxy)oxan-2-yl]oxy}-6-(hydroxymethyl)-3-(sulfoamino)-4-(sulfooxy)oxan-2-yl)oxy]-6-({5-acetamido-4,6-dihydroxy-2-[(sulfooxy)methyl]oxan-3-yl}oxy)-4-hydroxy-5-(sulfooxy)oxane-2-carboxylic acid > 0 > DB00407 > approved; withdrawn > Ardeparin > Normiflo $$$$