HMDB0241699 RDKit 3D 3-Octenoylcarnitine 47 46 0 0 0 0 0 0 0 0999 V2000 6.8124 1.2622 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 -0.1366 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -0.0229 -1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 0.6758 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 -0.0971 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4357 -0.6280 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -0.5673 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 0.1194 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 1.3743 -0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -0.6007 -0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 0.1107 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 -0.3578 1.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 -1.8209 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -2.3561 1.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2168 -2.6643 2.1557 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2152 -0.4006 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4942 0.1322 -0.1986 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.4682 -0.9417 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 0.6472 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8275 1.1688 -1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8818 1.2757 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 2.0310 -0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1663 1.5060 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 -0.7695 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 -0.6321 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 0.5554 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 -1.0359 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 1.6760 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 0.9368 -1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2571 -0.2002 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 -1.1748 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 0.0059 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -1.5819 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 1.1710 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 -0.1518 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7967 0.2078 2.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2653 -1.5265 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9326 -0.2412 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4075 -0.4559 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6366 -1.5113 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1084 -1.5834 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3468 1.5598 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 -0.1223 1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9477 1.0306 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 0.6837 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1618 2.0345 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8936 1.4159 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 M CHG 2 15 -1 17 1 M END