Mrv1718006181811162D 143154 0 0 0 0 999 V2000 8.5898 -7.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8724 -7.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 -7.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4182 -7.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 -7.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 -8.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -8.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 -8.4735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 -8.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -8.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -8.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 -8.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -9.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 -7.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -7.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 -5.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -7.2325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4182 -8.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 -8.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 -1.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7866 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5234 1.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2214 0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2214 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 -0.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0885 1.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0885 2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 1.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 2.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 2.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 3.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 -4.6537 -2.3074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 -3.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 -4.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 -5.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 -5.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 -6.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6537 -4.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -5.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6537 -3.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 -1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6537 -1.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6537 0.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2187 0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 0.9888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3489 0.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 0.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 -1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 -2.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 -2.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 -3.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -4.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2327 -4.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 -5.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -6.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 -6.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -5.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 -6.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -4.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 -4.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -4.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -2.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -3.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 -2.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 -2.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 -1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 41 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 46 45 1 6 0 0 0 46 47 1 0 0 0 0 46120 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 6 0 0 0 48 72 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 2 0 0 0 0 52 71 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 67 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 2 0 0 0 0 58 66 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 2 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 69 71 2 0 0 0 0 72 73 1 1 0 0 0 72 96 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 76 77 2 0 0 0 0 76 95 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 91 2 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 82 83 2 0 0 0 0 82 90 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 86 87 1 0 0 0 0 86 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 2 0 0 0 0 91 92 1 0 0 0 0 91 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 96 97 1 6 0 0 0 96120 1 0 0 0 0 97 98 1 0 0 0 0 98 99 2 0 0 0 0 98100 1 0 0 0 0 100101 2 0 0 0 0 100119 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102115 2 0 0 0 0 103104 1 0 0 0 0 104105 2 0 0 0 0 104106 1 0 0 0 0 106107 2 0 0 0 0 106114 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108110 2 0 0 0 0 110111 1 0 0 0 0 110112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 115116 1 0 0 0 0 115117 1 0 0 0 0 117118 1 0 0 0 0 117119 2 0 0 0 0 120121 1 1 0 0 0 121122 1 0 0 0 0 122123 2 0 0 0 0 122124 1 0 0 0 0 124125 2 0 0 0 0 124143 1 0 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 126139 2 0 0 0 0 127128 1 0 0 0 0 128129 2 0 0 0 0 128130 1 0 0 0 0 130131 2 0 0 0 0 130138 1 0 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 134135 1 0 0 0 0 134136 1 0 0 0 0 136137 1 0 0 0 0 136138 2 0 0 0 0 139140 1 0 0 0 0 139141 1 0 0 0 0 141142 1 0 0 0 0 141143 2 0 0 0 0 M END > DBSALT002726 > drugbank > COC1=CC=C(CN(CCN(C)C)C2=CC=CC=N2)C=C1.OC1=CC(=CC(O)=C1O)C(=O)OC1=C(O)C(O)=CC(=C1)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C(O)=C1 > InChI=1S/C76H52O46.C17H23N3O/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h1-20,52,63-65,76-101H,21H2;4-11H,12-14H2,1-3H3/t52-,63-,64+,65-,76+;/m1./s1 > FPPPOGQYQQBHQR-HBNMXAOGSA-N > C93H75N3O47 > 1986.597 > 1985.357086567 > 36 > 218 > 149.77356118919266 > 0 > 25 > 0 > 0 > 2,3-dihydroxy-5-({[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl]methoxy}carbonyl)phenyl 3,4,5-trihydroxybenzoate; N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine > 4.73 > 13.512004047 > -3.62 > 1 > 13 > 0 > 8.059665938059188 > 7.605963885458599 > -4.773003704204116 > 777.9800000000005 > 393.5703999999998 > 38 > 0 > 4.07e-01 g/l > mepyramine; tannic acid > 0 > DBSALT002726 > Mepyramine tannate > DB06691 > Mepyramine > 183969-60-0 > A9310LW34B $$$$