HMDB0007103 RDKit 3D DG(16:0/18:2(9Z,12Z)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 15.1022 -1.4802 3.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9982 -1.8372 2.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9166 -0.7978 2.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7492 -1.0193 1.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1168 -0.9612 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6974 0.3399 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1911 1.1517 -1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9477 0.9217 -2.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 2.0104 -1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7932 1.8782 -1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 0.5718 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9729 0.3684 -1.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 1.4207 -1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4332 1.4675 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.1441 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 -0.1930 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.8308 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5821 0.3617 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 0.5591 -2.8224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3894 -0.2669 -1.3271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 -0.6429 -2.4128 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6439 -2.1410 -2.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -2.4352 -3.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 0.0919 -2.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 -0.1673 -1.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 -0.0061 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 0.4988 0.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 -0.3660 1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7513 -0.1216 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 -0.9008 -0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 -0.5373 -0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 -1.2518 -2.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4865 -0.9395 -2.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6137 -1.3077 -1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7545 -0.8119 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7978 0.6959 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9443 1.0169 1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2107 0.4056 1.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4428 0.8857 1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6807 0.2769 1.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0543 0.4437 3.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1723 -0.1450 4.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8469 -1.8890 4.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1946 -0.3803 3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0710 -1.9456 2.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3878 -1.8873 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6196 -2.8539 2.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3105 0.2292 2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5896 -0.7671 3.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2616 -1.9754 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9873 -0.2288 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2382 -1.2664 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9349 -1.7201 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6211 0.6275 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7123 2.1021 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2062 1.0610 -3.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5100 -0.0602 -1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2903 3.0615 -1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1801 2.7590 -0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8653 -0.2882 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9537 0.6187 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4732 -0.6171 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 0.2964 -2.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 1.2294 -2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 2.4218 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2805 1.6304 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 2.3136 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 -0.6384 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3819 0.2614 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0239 -0.4438 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1947 -1.1328 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 1.8453 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 0.8933 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 -0.3735 -3.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 -2.6425 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 -2.5226 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3716 -2.6867 -3.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3223 -0.0439 -3.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5483 1.2168 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 0.2478 2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 -1.4538 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4556 -0.3906 1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9253 0.9718 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -0.7448 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1792 -1.9962 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5829 0.5449 -1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2044 -0.7883 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4582 -0.9531 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9776 -2.3727 -2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6843 -1.4428 -3.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5134 0.1589 -2.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5879 -2.4522 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6100 -1.1637 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8658 -1.0921 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2269 -1.3096 0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8546 1.1897 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5933 1.0826 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9366 2.1038 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0922 0.5729 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1747 0.7411 3.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1245 -0.6938 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5149 2.0022 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3817 0.9092 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5977 0.6033 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6568 -0.8593 1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0926 1.5519 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1091 0.1035 3.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5648 0.5777 4.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5181 -0.9407 3.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8234 -0.6651 5.0886 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 21 74 1 6 22 75 1 0 22 76 1 0 23 77 1 0 24 78 1 0 24 79 1 0 28 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 42110 1 0 M END