22297 -OEChem-10051720503D 29 28 0 1 0 0 0 0 0999 V2000 -1.6521 0.8518 0.5881 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5971 -0.2672 -0.3531 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0038 -1.5193 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 -1.3229 0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 -0.5599 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -0.9609 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 0.1396 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 2.0492 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 0.3148 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 1.2748 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -0.0025 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 -2.3315 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -1.8670 1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -2.2717 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3278 -0.6054 1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3704 0.2274 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 -1.4840 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 -0.6951 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 0.6178 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 -1.7099 -0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 2.9049 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 2.0059 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6263 2.2640 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 0.4036 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 1.2212 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 -0.5274 -1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 2.2109 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 1.1501 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1405 1.3852 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 M END > DB06706 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XVQUOJBERHHONY-UHFFFAOYSA-N/SDF?record_type=3d > CNC(C)CCC=C(C)C > InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3 > XVQUOJBERHHONY-UHFFFAOYSA-N > C9H19N > 141.2539 > 141.151749613 > 1 > 29 > 0.9997838845331967 > 18.813194597175077 > 1 > 1 > 0 > 0 > methyl(6-methylhept-5-en-2-yl)amine > 2.07 > 2.3181725126666666 > -1.66 > 0 > 1 > 0 > 1 > 10.665220282817 > 12.03 > 47.58639999999999 > 4 > 1 > 3.06e+00 g/l > tetrahydrofolic acid > 1 $$$$