HMDB0006510 RDKit 3D Cervonyl carnitine 79 78 0 0 0 0 0 0 0 0999 V2000 8.5161 1.6951 0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3803 1.8550 2.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9516 1.6540 2.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 1.3812 1.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 1.1865 2.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1367 -0.1681 2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -1.0914 1.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 -2.4375 1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 -2.6855 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -2.9033 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -3.1574 -2.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2807 -2.1099 -3.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 -1.3145 -4.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9887 -0.2772 -4.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 -0.2123 -4.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 0.8645 -3.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 0.9731 -3.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 1.2957 -1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 2.3849 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 2.8906 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 2.0928 1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 0.7607 1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 -0.2668 1.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.5886 1.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2126 -0.7283 1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7949 -0.8433 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3549 -2.1729 3.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3173 -3.1525 2.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9975 -2.3538 4.5165 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1480 -1.0423 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2591 -0.1577 0.3588 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.4252 -0.4979 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9731 1.2360 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6801 -0.3083 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9104 2.4399 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1777 0.6853 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6071 1.8044 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7093 2.8759 2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 1.1487 2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 1.7397 3.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2528 1.2899 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 1.3754 3.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 1.9103 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -0.4139 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8718 -0.8174 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 -2.4719 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9626 -3.1861 1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2657 -2.6757 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -2.8976 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1381 -3.1901 -2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 -4.1598 -2.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2536 -2.0050 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -1.4288 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 0.7158 -4.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 -0.4915 -5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -1.0958 -4.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 1.7472 -3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8422 1.7738 -3.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 0.0492 -3.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 0.6197 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 3.0235 -2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 3.0050 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 3.9431 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 2.0500 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 2.6703 1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3581 -1.4273 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9397 -0.6464 3.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5252 -0.0387 3.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5266 -0.9436 -0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4797 -2.0677 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4656 -1.5926 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5654 0.1473 2.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3738 -0.3382 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7594 1.5855 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9141 1.7801 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 1.5915 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8037 -0.1684 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4814 0.4301 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1085 -1.3228 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 18 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 30 69 1 0 30 70 1 0 32 71 1 0 32 72 1 0 32 73 1 0 33 74 1 0 33 75 1 0 33 76 1 0 34 77 1 0 34 78 1 0 34 79 1 0 M CHG 2 29 -1 31 1 M END