4004 -OEChem-10051719223D 38 37 0 1 0 0 0 0 0999 V2000 -0.2651 -1.3531 -0.9465 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 -3.4034 -0.4080 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -1.6567 -0.1353 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 1.8140 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 0.2019 -0.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1454 -0.4268 -0.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 -1.2385 1.4444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 1.7614 -1.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 -1.1382 0.8878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 0.2019 -0.1888 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7410 0.5446 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 1.3305 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -0.2513 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 2.9138 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 -0.4396 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 3.3273 1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 0.1715 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5092 -0.3317 -2.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4039 -2.0278 2.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 0.0620 0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8577 0.4042 -1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9384 1.6022 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 3.7536 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 2.6106 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 -0.2966 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1381 -1.5112 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 4.1677 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 3.6166 2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 2.4913 2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3151 -0.2968 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.2470 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4901 0.0524 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7979 0.7010 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3629 -0.9840 -2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 -0.6045 -2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -1.4079 3.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 -2.4017 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0188 -2.8665 2.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 M END > DB00772 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JXSJBGJIGXNWCI-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC > InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 > JXSJBGJIGXNWCI-UHFFFAOYSA-N > C10H19O6PS2 > 330.358 > 330.036066232 > 2 > 38 > -7.460860703066102e-13 > 31.65672482536084 > 1 > 0 > 0 > 1 > 1,4-diethyl 2-{[dimethoxy(sulfanylidene)-lambda5-phosphanyl]sulfanyl}butanedioate > 2.67 > 1.8572832056666668 > -3.30 > 0 > 0 > 0 > 0 > -6.821451036028483 > 71.06 > 78.1823 > 11 > 1 > 1.65e-01 g/l > tetrahydrofolic acid > 0 $$$$