HMDB0241317 RDKit 3D Tridec-7-enoylcarnitine 62 61 0 0 0 0 0 0 0 0999 V2000 8.2493 1.1634 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9715 0.5858 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0393 1.7290 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7853 1.3895 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 0.5121 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 -0.8639 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 -1.8737 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -1.8425 -1.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 -2.4516 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.4069 -1.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -1.0036 -2.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 -0.1593 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 -0.7025 -0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 -1.6766 -1.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 -0.0527 0.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 -0.5028 0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6698 -1.0530 2.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1386 -0.0946 3.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 1.0652 3.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 -0.5065 4.6288 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.8375 0.6056 0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1343 1.1065 -0.4092 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6245 0.0186 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0601 1.7980 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 2.0381 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8397 0.3587 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9156 1.9131 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7894 1.6767 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3384 0.1377 -0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6061 -0.2353 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9235 2.3465 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5663 2.4833 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2533 2.3794 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 1.0481 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 0.6245 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 0.9932 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6613 -1.1599 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 -2.9270 0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6998 -2.4535 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2088 -0.8263 -1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 -2.0055 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 -3.5536 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9052 -3.0040 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 -2.9178 -2.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 -0.5082 -2.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -0.9662 -3.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 0.9061 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -0.1802 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 -1.3832 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 -1.9582 2.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 -1.4461 2.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 0.3150 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4984 1.4955 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4999 0.3847 -1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 -0.8122 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 -0.3158 -1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2072 2.0464 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 1.2922 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4441 2.7866 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 2.6711 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4517 2.5913 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1278 1.3814 0.0688 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 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 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 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 21 52 1 0 21 53 1 0 23 54 1 0 23 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 25 62 1 0 M CHG 2 20 -1 22 1 M END