HMDB0241293 RDKit 3D 3,9-Dihydroxydodecanoylcarnitine 63 62 0 0 0 0 0 0 0 0999 V2000 5.2094 3.4185 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 2.0010 -1.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4715 1.9365 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4865 0.8064 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 1.2785 1.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4046 0.0011 1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -0.8887 0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -0.3806 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7433 -1.4788 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 -0.8503 -2.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -1.8387 -2.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7215 -2.9239 -3.3726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 -2.3121 -1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -1.2855 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 -0.0852 -1.6309 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 -1.5799 -0.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 -0.5494 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0869 -0.8236 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5741 -2.1050 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8486 -2.8725 1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8727 -2.5001 0.1208 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4107 -0.3865 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1596 0.6101 2.4007 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.3513 0.9584 3.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3933 1.8287 1.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 0.1475 2.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6347 3.4972 -2.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 3.4944 -2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7913 4.1290 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 1.2990 -2.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 2.0550 -1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 2.2072 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 2.9040 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3505 0.0805 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3965 0.4439 2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 0.6578 1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 -0.6940 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -1.7942 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -1.4511 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.2214 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1881 0.5513 -0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -2.3533 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -1.7040 -0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 0.0553 -1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 -0.4878 -3.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 -1.3890 -3.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 -3.6896 -3.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 -2.8472 -1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6398 -3.1160 -2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 0.3846 -0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0525 -0.9352 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7532 0.0415 0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5074 -1.3320 2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 -0.1151 1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2112 0.0944 4.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3903 1.3666 3.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8521 1.8125 4.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6821 2.0216 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4627 1.9718 1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2365 2.6846 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6032 0.6526 3.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2267 0.5358 2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -0.9366 3.0255 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 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 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 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