HMDB0241569 RDKit 3D 12-Hydroxyicosanoylcarnitine 86 85 0 0 0 0 0 0 0 0999 V2000 -11.0913 2.2719 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7302 1.2564 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8089 0.1304 0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5963 0.6695 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6508 -0.4397 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4612 0.1567 -1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -0.9170 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -0.3797 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4863 0.5599 -1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 1.0664 -2.2411 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1188 0.0694 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 -1.1709 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -1.0056 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -2.2319 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7718 -2.6433 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -1.5746 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2555 -1.2554 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 -0.1910 1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 0.1933 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -0.9764 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5284 -0.6331 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -0.5211 -1.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -0.4331 0.6123 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9502 -0.1083 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 -1.0916 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7030 -2.4619 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 -2.7240 -0.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6039 -3.4986 -0.0276 O 0 0 0 0 0 1 0 0 0 0 0 0 8.3571 1.2661 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5891 1.7807 -0.0100 N 0 0 0 0 0 4 0 0 0 0 0 0 10.7127 1.4845 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 3.2605 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9794 1.4289 -1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1220 1.8531 2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7220 2.4515 2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8741 3.2255 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6662 0.8448 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0533 1.7733 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3556 -0.5884 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5129 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9.2324 3.5328 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6177 3.5495 -0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4073 3.6977 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0911 2.3829 -1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0271 1.0006 -1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2932 0.8175 -1.9145 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 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 24 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 17 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 25 74 1 0 25 75 1 0 29 76 1 0 29 77 1 0 31 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 33 86 1 0 M CHG 2 28 -1 30 1 M END