HMDB0244521 RDKit 3D 13,16-Docosadienoic acid 64 63 0 0 0 0 0 0 0 0999 V2000 -9.4325 -1.2834 0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6193 -1.1062 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9615 0.1994 -1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4711 0.0538 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7425 1.2881 -1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 1.1483 -0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 0.0816 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -0.4012 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 0.3338 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 1.5061 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 2.0335 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 1.0696 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 1.7193 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7269 0.8051 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 -0.4851 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 -1.4267 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 -1.2086 0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9076 -0.0384 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3944 0.0162 1.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 0.0388 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3195 -1.0858 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3898 -0.7993 -1.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 0.2692 -1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6553 -1.6825 -2.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3424 -0.2641 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3164 -1.8077 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5276 -1.8995 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7055 -1.0306 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1404 -1.9753 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3782 1.0323 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0053 0.3038 -2.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1651 -0.8730 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4733 -0.0325 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1611 2.1434 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8176 1.4320 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7058 2.0428 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6776 -0.7016 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4283 -1.4234 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6648 -0.7247 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -0.2119 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 2.2261 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 2.9871 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 2.2500 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 0.8378 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3087 0.1476 -0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 2.6357 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 1.9571 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2252 0.5619 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 1.3527 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -0.9754 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9074 -0.3308 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 -2.4537 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5629 -1.7033 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 -1.2086 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7677 -2.1300 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6022 0.9262 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5215 0.1083 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -0.8129 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 0.9917 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0663 1.0268 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3645 0.2034 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 -1.2079 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -1.9975 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3108 -2.4480 -2.6548 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 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 24 64 1 0 M END