HMDB0241290 RDKit 3D 3-oxododecanoylcarnitine 60 59 0 0 0 0 0 0 0 0999 V2000 7.5905 -0.7543 -1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 -0.2214 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 0.3980 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6862 -0.4355 1.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 -0.9484 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.1797 0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -0.3464 -0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 0.8037 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3928 0.3222 -1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 -0.5384 -0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 -1.7115 -0.5292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5358 0.1013 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8605 -0.0466 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 -0.6758 -1.6117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 0.4930 0.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2999 0.3924 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7245 1.7799 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 2.7194 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4979 2.4099 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1535 4.0285 -0.0619 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1701 -0.3175 0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5256 -0.5296 0.0545 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.9587 -1.7307 0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 0.5406 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7948 -0.8269 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2002 -0.5975 -2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 -1.8652 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6283 -0.3033 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 0.5257 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0006 -1.0781 0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3604 0.8262 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 1.3267 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2017 -1.3594 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 0.1412 2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8699 -1.4920 1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6837 -1.6680 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 0.7015 1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1597 0.9381 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.9824 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 -0.9944 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 1.4565 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 1.4472 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 1.1636 -1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6788 -0.2749 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -0.3457 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3665 1.1916 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 -0.1849 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 1.8254 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9261 2.1438 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6954 -1.3148 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1728 0.1771 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3816 -2.6219 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0490 -1.8748 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7004 -1.5423 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6087 1.2476 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9870 1.0022 1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3721 0.0889 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7988 -0.3943 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0912 -0.4646 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9195 -1.9306 -1.5170 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 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 12 45 1 0 12 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 21 50 1 0 21 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 25 60 1 0 M CHG 2 20 -1 22 1 M END