HMDB0029632 RDKit 3D Oleyl alcohol 55 54 0 0 0 0 0 0 0 0999 V2000 8.3644 0.1293 1.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7080 -0.3912 0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4028 0.3774 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7072 -0.1055 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4137 0.6260 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 0.4364 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1484 1.1251 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 0.5652 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 1.1594 -1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9487 0.4638 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -0.9509 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 -1.5346 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -1.3853 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7802 -0.0632 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3021 -0.3752 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0587 0.8978 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5228 0.5896 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7410 -0.2824 1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1085 -0.5684 1.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0742 -0.4921 2.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4699 0.0817 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 1.1702 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4790 -1.4616 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3522 -0.2709 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8078 0.1805 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6063 1.4633 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 -0.0099 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4929 -1.1947 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 1.7039 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 0.2811 -2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 0.9083 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -0.6497 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 2.2077 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5278 0.9458 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 1.0040 -2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6184 -0.4938 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 2.2598 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8999 0.9998 -1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 -1.4900 -1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -1.3663 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 -1.2081 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -2.6747 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6218 -1.9174 -1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5281 -2.0148 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 0.6495 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 0.4438 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3237 -0.9464 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6001 -0.9081 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6823 1.4966 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 1.5101 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1524 1.4920 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8551 -0.0166 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3646 0.2060 2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2641 -1.2851 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3844 -1.3171 1.2549 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 1 0 9 10 2 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 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 M END