HMDB0241325 RDKit 3D 3-Hydroxytrideca-4,6-dienoylcarnitine 61 60 0 0 0 0 0 0 0 0999 V2000 8.3181 -2.0016 1.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5357 -2.7663 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 -1.9939 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 -0.6610 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4981 0.2151 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3982 0.6835 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4513 -0.3036 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 -0.2730 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 0.6660 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1678 0.6197 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 1.6138 -1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1221 1.0471 -2.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3322 2.5971 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 2.0363 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2179 1.5475 1.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7713 1.9683 -0.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8128 1.4130 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7383 2.5746 0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8916 2.1748 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9170 1.6178 1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8528 2.4250 2.9569 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.5715 0.3176 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8077 -0.8235 -0.6081 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.7388 -1.7757 -1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -1.5214 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 -0.5683 -1.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 -1.5311 2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0112 -2.6742 2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9476 -1.2262 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1557 -2.8969 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 -3.7691 1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 -2.5911 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6858 -1.9127 1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2866 -0.8050 -0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 -0.1517 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0149 -0.3466 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9354 1.1098 -1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9098 1.2094 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 1.5598 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 -1.0822 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -1.0666 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 1.4740 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4119 -0.1596 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 2.2326 -1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 0.1015 -2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 3.3608 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 3.1717 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 1.0351 1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1585 2.9458 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1541 3.4010 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4128 -0.0080 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0328 0.7289 -1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6002 -1.7714 -2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8034 -1.5068 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5817 -2.7989 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8911 -1.6050 1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0201 -2.5623 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2192 -1.1095 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 -1.3618 -2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 -0.6231 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 0.4000 -2.0939 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 2 3 8 9 1 0 9 10 2 3 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 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 22 51 1 0 22 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 26 59 1 0 26 60 1 0 26 61 1 0 M CHG 2 21 -1 23 1 M END