HMDB0241678 RDKit 3D 5-Hydroxyheptanoylcarnitine 47 46 0 0 0 0 0 0 0 0999 V2000 5.6435 -0.6757 2.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 -0.7680 1.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 -0.4028 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -1.2678 -0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 -0.5735 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.2196 -1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 -0.3539 -1.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 0.5397 -1.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3439 1.3553 -0.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 0.4753 -1.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 1.2944 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8884 2.1432 -2.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 3.0789 -1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 3.1465 -0.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 3.8856 -2.4710 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2930 0.3936 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -0.5203 0.6792 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8747 -1.1260 1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 0.1473 1.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 -1.6143 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6522 -0.7630 3.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2199 -1.5000 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0707 0.3119 1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8568 -1.7975 1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 -0.0855 2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2904 0.6623 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1574 -0.7954 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -1.6198 0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 0.0736 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -0.8208 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 0.8405 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -0.0073 -3.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6038 -1.4185 -1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 1.9388 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 2.7565 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2491 1.4314 -2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -0.2067 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 0.9212 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7082 -1.3445 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 -0.4758 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4565 -2.0421 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 -0.1363 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -0.2071 2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 1.2430 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 -1.6171 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9575 -1.6590 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 -2.6210 0.3922 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 3 5 1 0 5 6 1 0 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 4 27 1 0 5 28 1 0 5 29 1 0 6 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