5312151 -OEChem-05211314412D 74 75 0 1 0 0 0 0 0999 V2000 3.3930 -1.6413 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 -3.6279 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 3.4109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2293 3.9109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9614 1.9109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0992 -2.8273 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 1.0071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9614 -1.0891 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 0.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6312 -0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3633 0.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3712 -1.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 -3.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 2.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3633 3.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 2.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -1.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4723 0.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 -0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -4.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 4.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -2.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 -0.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 4.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8274 1.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 -2.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3992 -4.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -2.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 3.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6312 3.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7293 4.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7293 3.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4614 2.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4614 1.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3071 -3.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1211 -3.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5702 1.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8302 1.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8274 -1.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4614 -1.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4614 -0.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 -0.5891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3222 -1.5402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4973 0.9109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1312 -2.1279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4973 1.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3633 2.4109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2293 1.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9402 -1.5402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2293 0.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6802 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 -1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9603 1.2209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6836 -2.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9603 1.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8263 2.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7662 1.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0372 -2.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2293 0.2909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0606 -0.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 -0.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 0.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3074 0.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4552 -5.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0943 4.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 5.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3643 1.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4922 -3.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 0.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3643 -1.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 1 23 2 0 0 0 0 1 24 2 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 2 28 2 0 0 0 0 2 29 2 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 3 30 2 0 0 0 0 3 31 2 0 0 0 0 4 15 1 0 0 0 0 4 25 1 0 0 0 0 4 32 2 0 0 0 0 4 33 2 0 0 0 0 5 16 1 0 0 0 0 5 26 1 0 0 0 0 5 34 2 0 0 0 0 5 35 2 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 6 36 2 0 0 0 0 6 37 2 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 7 39 2 0 0 0 0 7 40 2 0 0 0 0 8 19 1 0 0 0 0 8 41 1 0 0 0 0 8 42 2 0 0 0 0 8 43 2 0 0 0 0 44 9 1 6 0 0 0 46 9 1 1 0 0 0 10 44 1 0 0 0 0 10 51 1 0 0 0 0 11 46 1 0 0 0 0 11 52 1 0 0 0 0 45 12 1 6 0 0 0 47 13 1 1 0 0 0 48 14 1 6 0 0 0 49 15 1 1 0 0 0 50 16 1 6 0 0 0 51 17 1 6 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 20 67 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 38 73 1 0 0 0 0 41 74 1 0 0 0 0 44 45 1 0 0 0 0 44 53 1 0 0 0 0 45 47 1 0 0 0 0 45 55 1 0 0 0 0 46 48 1 0 0 0 0 46 56 1 0 0 0 0 47 51 1 0 0 0 0 47 57 1 0 0 0 0 48 49 1 0 0 0 0 48 58 1 0 0 0 0 49 50 1 0 0 0 0 49 59 1 0 0 0 0 50 52 1 0 0 0 0 50 60 1 0 0 0 0 51 61 1 0 0 0 0 52 54 1 1 0 0 0 52 62 1 0 0 0 0 53 63 1 0 0 0 0 53 64 1 0 0 0 0 54 65 1 0 0 0 0 54 66 1 0 0 0 0 M END > 5312151 > 1 > 2210 > 35 > 8 > 20 > AAADceBwPgB4AAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABIAAAAAAADAAAAAAAAAAAAAAAAARAAIAAAAiAAAFAAAGAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4S,5R,6S)-3,5-disulfooxy-2-(sulfooxymethyl)-6-[(2R,3S,4S,5R)-3,4,5-trisulfooxy-2-(sulfooxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-4-yl] hydrogen sulfate > sulfuric acid [(2R,3S,4S,5R)-2,4-disulfooxy-5-(sulfooxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-3-oxolanyl] ester > [(2R,3S,4S,5R)-2,4-disulfooxy-5-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxolan-3-yl] hydrogen sulfate > [(2R,3S,4S,5R)-2,4-disulfooxy-5-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxolan-3-yl] hydrogen sulfate > sulfuric acid [(2R,3R,4S,5R,6S)-3,5-disulfoxy-2-(sulfoxymethyl)-6-[(2R,3S,4S,5R)-3,4,5-trisulfoxy-2-(sulfoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-4-yl] ester > InChI=1S/C11H20O35S8/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)/t3-,4-,5+,6-,7+,8+,9+,10-,11-/m1/s1 > DOSTXGNEHLRCCN-GQRKCPRYSA-N > -8.5 > 967.75508 > C11H20O35S8 > 968.7755 > C(C1C(C(C(C(O1)OC2(C(C(C(O2)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O > C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O > 604 > 967.75508 > 0 > 54 > 9 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 45 12 6 47 13 5 48 14 6 49 15 5 50 16 6 51 17 6 52 54 5 44 9 6 46 9 5 $$$$