HMDB0241231 RDKit 3D 3-Hydroxydodec-6-enedioylcarnitine 60 59 0 0 0 0 0 0 0 0999 V2000 -7.0330 1.0645 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 0.6243 -0.3023 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.2027 0.1112 -1.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0497 1.8561 -0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1594 -0.2745 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -0.8733 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9572 -2.0074 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7049 -3.1441 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9465 -3.1025 -0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -4.3423 0.1643 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9478 0.1148 -0.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 0.3754 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -0.3769 1.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 1.4255 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 1.3510 1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.4307 0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 0.0581 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 -0.1343 1.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 0.8796 1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5602 0.6083 1.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0235 -0.7339 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4057 -0.8049 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 0.1550 -1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7741 -0.0691 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3662 -1.3907 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 -2.4933 -0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6987 -1.5063 -1.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6259 0.1356 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6598 1.6876 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7998 1.6412 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4436 0.2800 -2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6119 -0.8916 -1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0718 0.7584 -1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 2.1173 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 1.7312 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7437 2.7093 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9226 -1.0091 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 0.3258 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 -1.3797 1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -1.7706 -1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8948 -2.3811 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 1.3785 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3244 2.4344 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0943 1.4751 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 3.2410 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 -0.7878 1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 0.0141 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6231 -1.1785 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9572 -0.0582 2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 1.9448 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2549 1.4665 0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3388 -1.5227 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -0.9501 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5283 -0.4975 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 -1.8319 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 1.1826 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 0.0769 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6697 0.0585 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5050 0.7016 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9757 -0.9023 -1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 27 60 1 0 M CHG 2 2 1 10 -1 M END