1755 -OEChem-10051719523D 31 30 0 0 0 0 0 0 0999 V2000 -1.6931 -1.5732 -0.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 0.7835 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9454 -1.2740 0.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6662 -0.6125 0.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7305 1.4473 0.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 -0.2511 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0186 0.6643 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 0.5341 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 -0.1511 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7612 -0.3461 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 0.7329 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 0.3966 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3003 -0.5260 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8431 -0.0569 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6090 0.2322 0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8201 -0.9360 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 -0.8765 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 1.3280 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 1.3000 0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5467 1.1759 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 1.1713 -1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 -0.7751 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -0.8394 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6164 1.3747 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4925 1.3671 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 0.9790 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0758 1.0993 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2178 -1.1215 0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3337 -1.2093 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 0.2961 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5189 -0.1286 0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 14 1 0 0 0 0 2 30 1 0 0 0 0 3 14 2 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END > DB02260 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XTQIBFVBYWIHIP-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CCCCCC(=O)CCC(O)=O > InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15) > XTQIBFVBYWIHIP-UHFFFAOYSA-N > C10H16O5 > 216.231 > 216.099773622 > 5 > 31 > -1.9899133757376402 > 22.514862447596933 > 1 > 2 > 0 > 1 > 4-oxodecanedioic acid > 0.51 > 1.0897112973333334 > -1.99 > 0 > -2 > 0 > -2 > 4.909826477257602 > 4.307745826168944 > -7.356576829685785 > 91.66999999999999 > 51.784400000000005 > 9 > 1 > 2.23e+00 g/l > tetrahydrofolic acid > 0 $$$$