HMDB0010726 RDKit 3D trans-Dec-2-enoic acid 30 29 0 0 0 0 0 0 0 0999 V2000 -3.4557 0.1683 -0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 0.3897 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 -0.6321 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1437 -0.6411 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 0.7109 1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 0.8297 0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 0.5612 -0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 0.7094 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 -0.3164 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6122 -0.2484 -1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 -1.2423 -2.1747 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3277 0.9188 -1.5096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 1.0843 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4969 -0.0124 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -0.6976 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4622 0.2559 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 1.4317 0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -0.3438 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0499 -1.6161 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.4043 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -0.9759 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 1.4827 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6192 0.9392 2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5709 0.1917 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1946 1.8805 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 -0.4485 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 1.3400 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 1.6317 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 -1.2622 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6467 1.1788 -0.5901 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 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 12 30 1 0 M END