HMDB0013288 RDKit 3D Nonanoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 6.7652 1.4174 0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6745 -0.0390 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 -0.4164 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8085 0.0620 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 -0.4502 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 0.0109 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9177 -0.4396 -1.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.0106 -2.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5286 -0.5321 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 -1.2868 -0.3244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8265 -0.1533 -1.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 -0.7012 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 -1.5025 -1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7786 -2.2903 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8688 -2.5357 0.2524 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7933 -2.8186 -1.7682 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4358 0.5615 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4303 0.6383 0.9343 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.7953 0.4632 0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3983 2.1099 1.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 -0.0202 2.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3431 2.0199 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3398 1.6955 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8433 1.7079 1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6728 -0.5085 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 -0.4930 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 -1.5198 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 -0.0332 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5813 -0.3913 -2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 1.1419 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9723 -0.1364 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7652 -1.5482 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 1.1442 -0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 -0.2797 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9415 -1.5636 -1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 -0.0941 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 1.0978 -2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3343 -0.3783 -3.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 -1.3125 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -2.2333 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1132 -0.8611 -2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 1.2533 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 1.1101 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9295 0.3137 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4555 1.3523 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3125 -0.3770 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2774 2.2403 1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4691 2.2648 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3927 2.6721 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5931 0.6654 3.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 -0.0565 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7241 -0.9592 2.3573 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 17 42 1 0 17 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 M CHG 2 16 -1 18 1 M END