HMDB0263969 RDKit 3D PA(18:2(9Z,11Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 122121 0 0 0 0 0 0 0 0999 V2000 14.6579 -0.4626 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7977 -0.2680 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5916 0.4776 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3612 0.0694 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9903 -1.2498 -1.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 -1.9981 -0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9897 -2.4247 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2368 -2.1765 -2.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 -1.3382 -1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -2.0256 -0.9113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5004 -0.1498 -1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 -0.0376 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7726 1.0779 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 1.1874 2.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 0.2322 3.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 0.5220 3.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0205 1.5991 4.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 2.8967 3.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 3.4105 2.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 3.6831 1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 3.5075 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 2.6460 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5685 1.3808 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 0.6023 0.7705 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 1.0125 -0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -0.2065 0.3475 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1157 -0.9996 -0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 -0.3681 -1.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 -0.1739 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 -0.6361 -0.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 0.5997 -2.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -0.0314 -2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 -1.4208 -2.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 -2.0986 -2.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 -2.3351 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7094 -2.9964 -1.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7234 -2.1356 -2.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9748 -0.9189 -1.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1631 -0.5962 -1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3687 -1.3683 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5524 -1.0471 -0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8032 0.1681 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7814 1.1174 -0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1145 0.5127 -1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8582 0.0128 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1272 1.1253 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8847 0.5476 2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 0.1180 1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5709 0.6699 2.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 1.0409 3.8608 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3879 1.8339 4.8807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -0.3418 4.6082 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 2.0035 3.2965 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7012 -1.5656 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1741 0.0004 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6739 -0.0974 -0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6417 -1.2027 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3850 0.4289 -2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7544 1.4896 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 0.7397 -0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4394 -1.0345 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8766 -1.8299 -2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6991 -2.2394 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -2.9798 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7959 -1.8427 -2.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8252 -3.2069 -2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 -1.0636 -2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5438 -2.8033 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0317 0.6021 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7475 -0.8420 0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3340 1.8747 0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0231 2.0613 2.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6465 -0.1367 3.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 -0.7609 2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3278 -0.4302 4.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1373 1.4919 4.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0276 2.9863 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4693 3.6868 4.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 3.5657 3.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 4.0683 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 4.4851 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6403 2.9694 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.4893 -1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 3.2637 -0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -0.8109 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 -1.9972 -0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 -1.2228 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 0.6064 -3.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 1.6355 -1.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 0.6202 -2.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8779 -0.1201 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -2.0756 -2.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 -1.3388 -3.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3895 -1.5801 -3.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 -3.1201 -3.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7683 -3.0192 -0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4654 -1.3869 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2117 -3.2187 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5636 -3.9294 -2.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5760 -2.7800 -2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3365 -1.8406 -3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1009 -0.2733 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1986 0.3496 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2934 -2.2963 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3733 -1.7298 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8955 0.6936 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3301 -0.1884 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3779 1.4725 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8567 2.0022 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0167 -0.2811 -1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7396 1.3038 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3595 -0.8172 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8615 -0.3521 -0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1784 1.5939 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7632 1.9089 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9497 0.8497 2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4518 0.9798 3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8146 -0.5523 2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.9300 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 -0.7745 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.1762 4.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 2.5180 2.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 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 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 1 27 86 1 0 27 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 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 47116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 52121 1 0 53122 1 0 M END