10308106 -OEChem-10051721213D 39 39 0 0 0 0 0 0 0999 V2000 -3.1615 3.7571 1.2185 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 3.4407 -1.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 0.6718 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 -0.2281 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2177 -0.1108 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 0.5432 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 0.7475 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2518 -0.3556 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -0.0194 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4952 -1.4019 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 -0.7987 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -0.6485 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -2.7742 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 -1.5650 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 -3.5404 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -2.9359 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8853 0.6312 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 1.5842 0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 3.0028 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 1.5068 0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 1.1021 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6608 -0.6470 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7326 -1.0722 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 -0.5352 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -0.9618 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 0.9777 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 1.3735 0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 1.5905 0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 1.1742 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 -1.1777 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2264 -0.7833 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 0.2165 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 -3.2625 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -1.1111 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5057 -4.6077 0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 -3.5326 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 0.8990 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 1.3339 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2483 4.7128 1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 39 1 0 0 0 0 2 19 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 12 3 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 M END > DB08492 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KRDSGPLHVQJFLM-BUHFOSPRSA-N/SDF?record_type=3d > CCCCCCC#CC1=CC=CC=C1\C=C\C(O)=O > InChI=1S/C17H20O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)13-14-17(18)19/h8-9,11-14H,2-6H2,1H3,(H,18,19)/b14-13+ > KRDSGPLHVQJFLM-BUHFOSPRSA-N > C17H20O2 > 256.3395 > 256.146329884 > 2 > 39 > -0.9992412577907541 > 30.780763092623364 > 1 > 1 > 0 > 1 > (2E)-3-[2-(oct-1-yn-1-yl)phenyl]prop-2-enoic acid > 5.09 > 5.346194969 > -5.14 > 0 > -1 > 1 > -1 > 3.8804238874040577 > 37.3 > 76.73800000000001 > 8 > 0 > 1.87e-03 g/l > tetrahydrofolic acid > 1 $$$$