HMDB0302289 RDKit 3D trans-10-Octadecenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 8.6316 -0.9343 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6845 -0.0948 0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4205 0.1473 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 0.9761 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2092 1.1945 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5012 -0.0502 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 0.2372 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 1.0656 -0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 0.5528 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 1.4060 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 1.6677 -0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7489 0.3700 -0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9572 0.5647 -1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 -0.7847 -2.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 -1.5604 -0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0508 -0.8628 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4541 -1.7044 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5097 -0.9601 1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9291 0.1758 1.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1043 -1.4645 3.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6758 -0.8050 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 -0.6872 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3586 -2.0068 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3997 -0.6551 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1262 0.8661 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 0.6994 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 -0.8398 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 0.4845 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8688 1.9769 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 1.8083 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 1.8819 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -0.6098 0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -0.6877 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8677 -0.7403 -1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 0.7489 -2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 2.0454 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 -0.4378 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 0.8438 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4559 2.3310 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 2.2831 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8328 2.2427 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -0.2028 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 -0.2122 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6546 1.2432 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 1.0622 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 -0.6604 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7829 -1.4232 -2.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3882 -2.5372 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1565 -1.8598 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6251 0.0793 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9571 -0.6877 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7746 -2.7191 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5845 -1.8358 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0282 -0.9307 3.8871 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 1 0 8 9 2 0 9 10 1 0 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 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M END