HMDB0266952 RDKit 3D PA(18:2(9Z,11E)+=O(13)/a-15:0) 111110 0 0 0 0 0 0 0 0999 V2000 14.0932 4.7036 -2.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9017 3.2637 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4040 3.1412 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2757 1.7798 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9336 1.1879 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0644 1.9980 1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5925 3.0239 2.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7216 1.6994 1.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7937 0.9063 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4817 -0.2416 0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2578 -0.7657 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1678 -0.2683 1.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 0.1077 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 -1.1105 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 -0.9008 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -0.4544 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 -1.4843 1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -1.2995 2.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.2904 2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 -1.0076 3.7895 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -1.5452 1.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 -1.4887 1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -1.7803 0.7489 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1601 -3.2348 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1919 -3.6381 -0.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0148 -5.2163 -1.0253 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5977 -5.6592 -0.8069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3707 -5.3810 -2.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0718 -6.2451 -0.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 -0.9941 -0.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 -0.4259 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 -0.7310 -0.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5968 0.3861 -2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7923 0.4311 -2.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1615 -0.8095 -3.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6967 -1.9946 -2.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 -2.0172 -2.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5749 -1.0330 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0673 -1.3699 -1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5609 -0.3574 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5311 1.0401 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9518 2.0562 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3142 1.9413 0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6941 0.7461 1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6051 3.2148 1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4804 4.3989 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1891 5.3035 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9695 5.1716 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2342 4.7621 -3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5724 2.6214 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8813 2.9234 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5015 3.3934 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9157 3.9030 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9239 1.0900 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7232 1.8380 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4209 1.0190 -0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0328 0.1596 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2530 2.4925 2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8348 1.3467 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2112 -0.7553 -0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -1.6550 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8098 -1.1601 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 0.4741 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 0.5987 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1961 0.8068 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0064 -1.3008 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 -2.0467 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6639 -1.8297 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 -0.1018 -1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9726 -0.4020 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 0.5265 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 -2.5022 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 -1.5023 1.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 -0.4005 3.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.1489 3.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 -2.3070 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 -0.5676 2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -1.8597 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 -3.8808 1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -3.2220 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3654 -5.4696 -2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1926 -5.8634 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7585 -0.0351 -2.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 1.4667 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 0.8858 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5361 1.2549 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9562 -0.4880 -4.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 -1.1132 -4.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5797 -2.8878 -3.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0035 -2.3575 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7926 -2.0868 -3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2392 -3.0555 -2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0905 -1.1058 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6247 -0.0333 -2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1279 -2.3790 -0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6404 -1.2224 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9894 -0.4391 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6203 -0.6980 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0764 1.1783 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 1.2884 -0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1778 2.1722 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8951 3.0861 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0178 1.9746 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8520 0.1916 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2469 1.1471 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4615 0.1049 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6538 3.0934 2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9104 3.2558 2.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6489 4.0905 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2583 5.1615 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4625 4.8129 0.8353 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 1 0 31 32 2 0 31 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 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 8 58 1 0 9 59 1 0 10 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 18 74 1 0 18 75 1 0 22 76 1 0 22 77 1 0 23 78 1 1 24 79 1 0 24 80 1 0 28 81 1 0 29 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 44104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 46111 1 0 M END