HMDB0013238 RDKit 3D Heptanoylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 5.5203 0.8124 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 -0.5202 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 -1.2656 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -0.7301 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.6137 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 0.9727 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 0.0225 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 -1.0577 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 0.2710 -0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8082 -0.6053 -0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 -1.1825 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7465 -2.1074 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 -2.4426 -1.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 -2.7051 -3.8490 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0675 0.1722 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3033 0.6776 0.6192 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7231 1.0945 0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -0.3328 1.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 1.8523 0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5895 1.6315 0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 0.9216 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 0.9937 -1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -0.4351 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -1.1192 -0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3864 -2.3096 0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0269 -1.4691 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 -1.4217 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -0.7113 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3345 1.3537 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4075 0.6931 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 1.9873 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.0843 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 -1.4434 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 -1.7994 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5844 -0.4021 -3.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 1.0703 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -0.3551 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9559 1.5723 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9335 1.7610 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3116 0.1749 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1954 -1.3669 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 -0.2761 2.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 -0.0664 2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 2.6597 1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8668 1.5637 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9122 2.1689 0.0898 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 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 15 36 1 0 15 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 M CHG 2 14 -1 16 1 M END