HMDB0264073 RDKit 3D PA(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 122121 0 0 0 0 0 0 0 0999 V2000 -15.6496 4.5005 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0980 3.1206 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3708 3.1557 1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1125 2.8644 1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2104 2.4296 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7466 1.0693 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5023 0.7767 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3928 1.7168 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4131 1.2413 -0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9799 1.0932 -1.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7718 -0.0173 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8047 0.0113 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1765 -1.1999 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2456 -1.2663 2.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6218 -0.2285 2.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0329 1.1622 2.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3305 2.1917 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9655 1.9802 1.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0301 2.4443 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 1.5978 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 0.1736 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1756 -0.2370 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -1.6330 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 -2.1638 0.3614 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 -2.5243 -1.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -3.8494 -0.8153 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3765 -4.3265 -1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -3.5433 -0.5694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -3.1132 0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 -3.4909 1.6269 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 -2.2494 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 -1.5794 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9804 -2.4913 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 -3.4158 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 -2.7390 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 -1.9151 -1.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 -1.2704 -1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5986 -0.5164 -2.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8322 0.7576 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7521 1.5722 -1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1071 2.1631 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8865 1.9903 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5025 1.1498 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5191 2.0046 2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9144 2.5531 2.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8745 3.3732 3.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8583 4.4786 3.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 -4.7568 -1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 -4.2486 -1.6497 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 -5.2247 -2.6098 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4220 -6.5766 -1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6962 -4.4330 -2.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 -5.4227 -4.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5830 4.6483 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9356 5.2991 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8742 4.4990 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0292 2.4841 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5927 2.6773 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9445 3.4642 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7000 2.9405 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7796 2.4198 -0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4052 3.1888 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5146 0.2856 0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2771 -0.2818 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7839 1.6542 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6006 2.7574 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6210 2.0496 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3745 1.9101 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0401 -0.9525 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5754 0.9753 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5369 -2.1490 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 -2.3465 2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 -0.3776 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7554 -0.5810 4.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0406 1.4258 3.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7553 3.1713 2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 2.7321 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 1.0127 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 3.5115 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 2.0281 -1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3284 -0.3597 -0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -0.2294 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 0.0324 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 0.3949 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4571 -3.9790 0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 -5.4172 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -4.4034 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 -2.9006 1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7252 -1.4734 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 -0.8910 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 -0.9364 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 -3.1021 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2747 -1.8731 -2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2234 -4.1322 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 -4.0165 -0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -2.1620 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1212 -3.5275 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0343 -2.5762 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 -1.0557 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -0.7607 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9761 -2.0890 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6686 -1.1281 -3.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0996 1.2389 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2603 1.1887 -0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1202 2.4827 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4655 2.8111 -2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8495 2.4850 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4837 0.7378 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2770 0.3567 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7626 2.7681 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3184 1.2870 3.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6046 1.6903 2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2696 3.2155 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 2.7459 4.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8480 3.8633 3.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7068 4.6554 2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 5.4476 3.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8742 4.2210 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 -5.7649 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 -4.8275 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3145 -4.9793 -3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -4.6229 -4.2646 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 1 0 41 42 2 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 40105 1 0 41106 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