119138 -OEChem-10051720343D 45 46 0 1 0 0 0 0 0999 V2000 0.0000 -1.8572 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 0.2071 0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5268 0.2071 -0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -2.1102 -1.9656 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 -2.1103 1.9656 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9875 -1.1179 -1.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -1.1179 1.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2738 -0.1696 1.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -0.1695 -1.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 2.6789 1.9077 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 2.6789 -1.9077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -0.6556 -0.3767 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3272 -0.6556 0.3767 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6197 -1.3978 -0.7436 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6197 -1.3978 0.7436 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7667 -0.4005 -0.9365 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7667 -0.4005 0.9364 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8764 0.5561 0.2511 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8763 0.5560 -0.2511 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5183 1.2145 0.5120 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5183 1.2146 -0.5119 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5391 2.1235 1.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 2.1235 -1.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 -0.0642 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.0642 1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 -2.1242 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 -2.1242 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 0.1741 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 0.1741 1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 1.3110 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 1.3111 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 1.8030 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 1.8030 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7826 1.5743 2.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 2.9395 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 1.5742 -2.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2572 2.9394 -1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6846 -2.7213 -1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 -2.7212 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 -1.7249 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 -1.7249 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1152 -0.6111 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1152 -0.6111 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6205 1.9419 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 1.9418 -2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 16 1 0 0 0 0 6 40 1 0 0 0 0 7 17 1 0 0 0 0 7 41 1 0 0 0 0 8 18 1 0 0 0 0 8 42 1 0 0 0 0 9 19 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > DB04396 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SYKYBMOFPMXDRQ-ZFDCCPEWSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(S[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O > InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1 > SYKYBMOFPMXDRQ-ZFDCCPEWSA-N > C12H22O10S > 358.362 > 358.093367614 > 10 > 45 > -1.1901641213183626e-05 > 32.92211514787791 > 1 > 8 > 0 > 0 > (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}oxane-3,4,5-triol > -2.97 > -4.380422509000001 > 0.10 > 0 > 0 > 2 > 0 > 12.668762489030058 > 12.167404355243285 > -2.979753969849841 > 180.29999999999998 > 74.69789999999998 > 4 > 0 > 4.52e+02 g/l > tetrahydrofolic acid > 0 $$$$