HMDB0241070 RDKit 3D 7-Decenoylcarnitine 53 52 0 0 0 0 0 0 0 0999 V2000 7.0621 1.6291 -1.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 0.8010 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6022 -0.5436 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -1.0712 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 -0.4242 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3591 -0.3101 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 -1.6913 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 -1.7252 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 -1.0392 1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 -1.0823 1.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3902 -2.2296 0.8103 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 -0.0263 1.1269 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 -0.1486 0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8763 0.2456 2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 1.6083 2.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 2.3511 1.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 2.1071 3.7102 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5428 0.5150 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9009 0.4827 -0.7854 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.5852 1.7576 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7277 -0.5523 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9618 0.4138 -2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8719 2.3892 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2056 0.9446 -2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 2.1350 -1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 1.3761 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2774 0.7524 -0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 -1.1585 -1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3155 -2.1099 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.5983 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9679 -0.9887 1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 0.2602 -0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 0.2183 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -2.1112 -0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 -2.3565 1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1419 -1.1686 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 -2.7721 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 -1.5825 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 0.0070 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2942 -1.2537 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 -0.4925 2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9766 0.1001 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 1.5741 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9533 -0.0083 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 2.5489 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5653 1.7879 -1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7416 1.8142 0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2058 -1.3818 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2533 -1.0508 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5707 -0.1924 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5461 -0.5701 -2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2906 1.1704 -2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 0.4535 -2.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 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 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 18 43 1 0 18 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 M CHG 2 17 -1 19 1 M END