HMDB0241112 RDKit 3D (4E,7E)-3-Hydroxydeca-4,7-dienoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 7.1322 1.7359 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1894 0.4806 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 0.7211 1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 0.0594 1.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7774 -1.1054 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 -0.7358 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 -0.7027 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -0.3406 -0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5744 0.2377 -2.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 -1.5804 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 -1.3232 -1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 -1.2843 -2.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 -1.1203 -0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9671 -0.8688 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7887 -2.0342 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 -2.2164 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 -1.4505 2.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 -3.2403 2.1263 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4138 0.4654 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 0.8398 -0.2864 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.7431 0.4372 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7874 2.3253 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1356 0.5200 -1.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0136 1.7580 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0861 2.6186 0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2314 1.6182 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2652 0.3359 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9255 -0.4006 -0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7145 1.5658 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8378 0.3470 2.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -1.3759 0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7963 -1.9738 1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -0.5027 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 -0.9456 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2631 0.3657 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3433 1.2166 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 -2.4084 -1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 -1.9752 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0157 -0.8803 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8244 -2.0226 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 -2.9378 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 1.2229 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 0.6260 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4717 1.2744 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4204 -0.3809 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 0.2047 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9031 2.6449 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9331 2.7503 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7129 2.6169 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7038 -0.4066 -1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8297 1.3340 -2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 0.5750 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 M CHG 2 18 -1 20 1 M END