HMDB0240830 RDKit 3D 9-Methyltridecanoylcarnitine 67 66 0 0 0 0 0 0 0 0999 V2000 -9.2798 0.4568 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2687 0.9254 1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9939 0.0864 1.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5508 0.3646 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3123 -0.4200 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 0.0137 -1.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2295 -0.2014 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 -0.8726 0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 -0.5282 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 -1.2912 -0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 -0.9440 -2.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1983 0.5114 -2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 1.0150 -1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 0.3079 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 -0.4480 -2.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 0.4958 -0.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -0.2257 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 -1.2272 0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5448 -2.1563 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0066 -2.2641 2.3796 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 -2.9250 0.2156 O 0 0 0 0 0 1 0 0 0 0 0 0 5.5543 0.8472 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 0.6295 -0.0412 N 0 0 0 0 0 4 0 0 0 0 0 0 7.3755 -0.1434 -1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 1.9889 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6066 0.1790 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1199 -0.6393 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1430 1.0036 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2983 0.6526 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6217 0.6550 2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0423 1.9976 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 0.3875 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2689 -0.9710 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2872 1.4380 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3405 0.1262 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 -1.4982 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0161 0.4701 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8923 -0.8372 -2.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 0.8340 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 0.9114 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -0.4833 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 -1.9861 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 -0.5201 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 0.5449 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6978 -0.8193 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 -0.9367 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -2.3637 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7054 -1.6394 -2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 -1.1678 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 1.0868 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 0.6463 -3.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 0.9788 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2919 2.0996 -1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 -0.7692 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -1.8772 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1569 -0.6993 1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 1.6708 -0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3523 1.3438 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6695 -0.9029 -1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3184 -0.6496 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 0.5392 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5128 1.9349 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4769 2.4594 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7955 2.5453 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4937 0.8316 1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0767 -0.8423 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9818 0.2710 2.0542 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 5 7 1 0 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 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 22 57 1 0 22 58 1 0 24 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 25 63 1 0 25 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 M CHG 2 21 -1 23 1 M END