HMDB0295653 RDKit 3D DG(17:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 116115 0 0 0 0 0 0 0 0999 V2000 14.9218 -1.0083 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6397 0.3861 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1886 0.2192 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8843 1.5501 -1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4023 1.5340 -2.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1742 1.0547 -3.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0978 0.6286 -2.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8543 0.5406 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6263 1.3431 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6204 0.7377 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5137 -0.6849 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3221 -1.2575 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 -2.6298 -0.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 -1.1513 -1.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7515 -0.7595 -2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 -0.3872 -2.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.0178 -3.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 0.3902 -3.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.3101 -2.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 -1.0402 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 -0.8526 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -1.7464 0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 0.2306 0.2424 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4517 0.5489 1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 -0.2531 1.7459 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2262 0.3362 2.9965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4571 -1.6685 2.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 -2.2568 2.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 -2.4114 1.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 -2.0513 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 -3.0181 2.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1346 -3.1457 1.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6929 -1.8611 1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0954 -0.9481 2.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6671 0.3516 1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9123 0.1621 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0007 -0.5387 1.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4364 0.2197 3.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1049 1.5172 2.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4515 1.6464 2.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8642 1.2624 1.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2247 1.9270 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8053 1.3953 -1.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2740 1.6210 -1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6680 1.0247 -2.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3703 -0.4426 -2.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9766 -1.5944 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6778 -1.5000 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2982 -0.8812 2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4882 1.0537 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7860 0.7716 1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4240 -0.5197 -0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0970 -0.2118 -1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9388 2.0713 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3347 2.2217 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6384 2.5987 -3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2318 0.9651 -3.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1273 1.0474 -4.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2608 0.2907 -3.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6204 0.8802 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6619 -0.5165 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6303 2.4137 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 1.4155 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3714 -1.3175 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 -0.7383 1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4099 -0.7536 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9114 -2.9200 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6283 -1.4158 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -0.7196 -3.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 -0.3678 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 -0.0009 -4.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0926 1.4559 -3.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.2571 -4.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 0.7671 -2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 0.9972 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 -1.6774 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 -1.6038 -1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 1.6310 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1503 0.4181 2.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 -0.1586 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 -0.1722 3.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 -1.8047 2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 -2.3280 1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 -4.0428 3.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0969 -2.4043 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9605 -3.5989 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9356 -3.8764 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5709 -2.1346 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9593 -1.4084 0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7033 -1.4852 3.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1329 -0.6775 2.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8538 1.0013 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9185 0.8399 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1694 1.1538 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6596 -0.4820 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8046 -0.8032 1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5195 -1.4874 2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6213 0.3259 3.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1747 -0.4657 3.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1422 1.9584 3.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3566 2.2185 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8492 2.7249 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1407 1.0970 3.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8163 0.1517 0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0128 1.4298 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1566 1.6965 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4383 3.0172 -0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6543 0.2785 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2867 1.8110 -2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4522 2.6986 -1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8671 1.1044 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7005 1.2846 -3.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9885 1.5249 -3.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4757 -0.8805 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1189 -0.9008 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3812 -0.6648 -3.4216 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 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 42 43 1 0 43 44 1 0 44 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 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 27 82 1 0 27 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 M END