HMDB0241297 RDKit 3D 3,4-Dihydroxydodecanoylcarnitine 63 62 0 0 0 0 0 0 0 0999 V2000 7.7479 2.0652 -1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4696 0.6061 -1.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5054 -0.2110 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 0.2581 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.1597 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 0.6548 1.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6869 0.6272 1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 -0.7973 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 -0.7357 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 0.1083 -0.6933 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 -2.0667 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 -2.9957 1.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -1.9407 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 -1.3420 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8005 -1.0524 1.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 -1.0631 -0.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2809 -0.4930 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 -1.5055 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -1.1433 1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4083 -0.0684 2.6209 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4618 -2.0291 2.1914 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7479 0.8589 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 0.9172 -0.8598 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.3441 2.3333 -1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 0.6411 -0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8016 0.1789 -1.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2141 2.5091 -1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3794 2.2111 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7526 2.5542 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 0.5417 -1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 0.2279 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5044 -0.0726 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3334 -1.2754 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 -0.3728 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7371 1.2960 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 -0.9259 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 0.6823 -0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 1.6703 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 0.0060 2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 1.2927 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 1.0246 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 -1.2268 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -1.3829 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 -0.3161 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1178 0.8836 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9564 -2.5117 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 -2.5713 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3957 -2.9962 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 -1.3421 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 -0.3518 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8243 -2.3960 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7396 -1.9367 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 1.5266 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 1.3096 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0157 2.9093 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6446 2.4522 -2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 2.6574 -1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0928 -0.3890 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2842 0.9330 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3934 1.2888 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8623 -0.9064 -1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 0.5731 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3617 0.4593 -2.8654 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 11 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 5 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 10 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 22 53 1 0 22 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 25 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 M CHG 2 21 -1 23 1 M END