HMDB0059871 RDKit 3D Ethyl 9-hexadecenoate 54 53 0 0 0 0 0 0 0 0999 V2000 -7.1088 -0.4697 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5589 -0.3142 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1756 0.7230 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 1.0368 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 1.5644 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 0.7641 -1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0595 -0.5637 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -0.9307 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -2.2376 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9998 -2.3011 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 -1.6899 0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 -0.2434 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9668 0.6844 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 0.7455 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 1.8556 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 1.4580 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4711 2.3632 -0.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8755 0.2205 0.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 -0.1741 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -0.0004 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5959 0.5049 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3674 -1.0112 0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3429 -1.0889 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3618 -0.0420 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1618 -1.3213 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7632 1.6587 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 0.4356 1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2573 0.1249 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 1.7650 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1499 2.6066 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 1.7402 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 0.6715 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 1.2831 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -1.2609 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 -0.2427 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -2.8869 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.7712 -2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 -3.4310 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 -2.0460 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -2.0075 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3192 -2.2278 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 0.1084 0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -0.0379 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 1.7425 0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 0.5453 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 -0.1717 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 0.9825 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7178 1.7969 -2.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 2.8352 -0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0355 0.3482 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 -1.2524 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 0.7789 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 0.3462 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -0.9656 0.0477 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 0 8 9 1 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 2 0 16 18 1 0 18 19 1 0 19 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 8 35 1 0 9 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 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 20 54 1 0 M END