443244 -OEChem-11211922093D 63 65 0 1 0 0 0 0 0999 V2000 -5.2283 -1.4484 -0.8709 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 2.5819 0.2021 P 0 0 1 0 0 0 0 0 0 0 0 0 -0.3833 3.6728 -1.2811 P 0 0 2 0 0 0 0 0 0 0 0 0 2.3177 0.8645 0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 -0.5082 1.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8964 1.2405 0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 -3.2134 0.2038 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 2.5685 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8425 0.5497 0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1721 -2.1651 2.5553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3027 0.6712 2.8804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 2.3788 -0.9576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8874 3.1072 -1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1599 -2.6909 -1.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9673 -0.6885 0.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 -0.8007 -2.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0842 2.0555 -0.4012 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -2.4377 0.9563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 3.6068 1.2904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 3.8550 -2.8827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0808 4.9023 -0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 -4.5671 -2.1627 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -1.1683 -0.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -3.4962 -0.5979 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1449 2.2886 0.1037 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7370 -2.3143 1.1099 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8274 -1.5113 0.3878 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5074 0.8772 -0.3070 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6266 2.2154 0.1909 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6642 -1.3916 1.6917 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4966 0.0528 0.4715 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3054 -0.2630 2.4967 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4095 0.4393 1.7047 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9866 -2.3958 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 2.4796 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 -2.3652 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1459 -1.1731 -1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -2.2592 -1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 -3.5497 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1832 -2.9127 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 3.0532 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 -1.0243 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3747 0.7526 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 2.8778 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -0.9862 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8618 -0.1737 1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -0.6841 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 1.1140 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4676 -2.8824 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 -3.1595 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 1.7657 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 3.4794 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 -3.7933 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 3.4666 1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 1.1904 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6826 -2.7777 1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 1.0802 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.2415 -1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 -4.3675 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9689 -2.2256 -2.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7824 -3.2364 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8035 1.8080 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 4.2757 -3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 2 0 0 0 0 1 16 2 0 0 0 0 1 34 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 3 21 2 0 0 0 0 4 29 1 0 0 0 0 4 31 1 0 0 0 0 5 27 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 7 26 1 0 0 0 0 7 53 1 0 0 0 0 8 25 1 0 0 0 0 8 54 1 0 0 0 0 9 28 1 0 0 0 0 9 55 1 0 0 0 0 10 30 1 0 0 0 0 10 56 1 0 0 0 0 11 32 1 0 0 0 0 11 57 1 0 0 0 0 12 35 1 0 0 0 0 14 61 1 0 0 0 0 17 62 1 0 0 0 0 18 36 2 0 0 0 0 20 63 1 0 0 0 0 22 39 2 0 0 0 0 23 31 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 36 1 0 0 0 0 24 39 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 40 1 0 0 0 0 27 34 1 0 0 0 0 27 42 1 0 0 0 0 28 31 1 0 0 0 0 28 43 1 0 0 0 0 29 35 1 0 0 0 0 29 44 1 0 0 0 0 30 32 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 32 33 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 34 49 1 0 0 0 0 34 50 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 37 38 2 0 0 0 0 37 58 1 0 0 0 0 38 39 1 0 0 0 0 38 60 1 0 0 0 0 M END > DB02554 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FQANCGQCBCUSMI-JZMIEXBBSA-N/SDF?record_type=3d > O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O > InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 > FQANCGQCBCUSMI-JZMIEXBBSA-N > C15H24N2O19P2S > 630.366 > 630.01692031 > 16 > 63 > 49.425944008231696 > 0 > 9 > 0 > 0 > [(2S,3S,4S,5R,6R)-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid > -1.20 > -5.286215361333333 > -1.41 > 1 > 3 > -3 > 1.733025047403769 > -1.2682042108903648 > -3.6645433628414152 > 325.67999999999995 > 114.84979999999997 > 10 > 0 > 2.45e+01 g/l > udp-6-sulfoquinovose > 0 $$$$