HMDB0274061 RDKit 3D PGP(20:3(8Z,11Z,14Z)-O(5,6)/22:5(7Z,10Z,13Z,16Z,19Z)) 142142 0 0 0 0 0 0 0 0999 V2000 15.8490 3.2439 1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1974 1.8710 1.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9742 0.8783 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2073 -0.1409 0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2851 -0.6332 1.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1905 -0.0074 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1597 0.6161 3.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8688 0.8608 3.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5007 0.4169 1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5663 -0.4249 1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6327 -1.1645 2.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6943 -1.0270 3.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7675 -0.5982 4.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 -0.1529 4.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 -0.9706 4.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4724 -1.7465 4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -1.9802 2.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -1.6426 2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 -0.2098 2.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 0.6351 1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 0.1401 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5275 0.2983 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 1.2415 0.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 -0.5952 -0.7365 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3988 -0.5550 -0.9264 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2052 -1.7073 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 -1.7773 -0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -0.8526 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 0.2788 0.3811 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9817 -1.2145 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 0.0034 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3165 -0.3850 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6391 -1.3205 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4163 -0.5475 2.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6126 -1.1635 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9515 -0.5825 1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9569 0.7354 1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5353 1.0215 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2339 0.0141 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6611 0.3339 -1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6541 -0.4165 -0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5064 -1.6749 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0204 -1.8649 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5982 -1.0415 2.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9061 0.3822 1.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4194 0.4991 1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0032 1.8346 1.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6554 2.9358 2.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2453 3.3706 2.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 -0.6635 -2.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 -1.8683 -2.9059 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1729 -1.9244 -4.5013 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6311 -1.5321 -4.5716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 -3.5315 -5.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 -0.8840 -5.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 -0.1472 -6.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 0.7643 -7.1746 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4228 1.6523 -6.4706 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.0755 -8.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.7435 -9.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 -0.2295 -10.1062 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0808 -1.0144 -10.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 0.7864 -11.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 -1.2835 -9.2715 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3047 3.2882 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2490 3.9998 2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7508 3.3390 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7680 1.7516 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3278 1.9029 2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6078 1.0546 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2388 -0.7458 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7606 -1.6943 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3284 -1.0143 1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0630 -0.0868 3.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2562 1.0491 4.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9154 2.0815 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0351 0.8341 3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0833 0.8592 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4492 -0.6234 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 -0.9146 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6557 -2.2872 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6386 -1.3483 4.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9628 -0.5451 5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 -0.0431 2.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3034 0.8874 4.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 -0.8805 5.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 -2.2775 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -1.4642 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3981 -3.0675 2.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -2.0493 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1477 -2.2150 3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.0346 2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 0.1485 3.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 0.5067 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0284 1.6726 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -0.8851 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 0.7896 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 0.3628 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.6192 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 -2.6540 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 -2.0088 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0079 -1.6867 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 0.7728 -0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 0.4844 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8223 0.5813 -0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 -0.7931 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1257 -2.3127 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 -2.1458 2.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5225 -1.3844 1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4812 -0.5447 2.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4567 1.5714 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5200 2.0561 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9703 -1.0219 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7889 0.2018 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9511 1.2721 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7102 -0.1052 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4344 -2.0241 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0327 -2.5289 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9052 -2.9238 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9437 -1.3807 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4896 0.9657 2.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4853 0.8824 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8018 0.1384 2.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8360 -0.2730 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8799 2.1757 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1275 1.7041 1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3074 3.8150 2.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0007 2.6570 3.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2238 4.5125 2.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7777 3.0698 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5953 3.1122 1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 0.1509 -2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 -0.6041 -2.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 -4.1279 -4.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 0.4316 -5.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 -0.7913 -6.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 1.3648 -7.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 2.0630 -7.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 -0.7569 -8.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 -0.6805 -7.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 1.7433 -10.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -1.1280 -8.3135 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 35 33 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 54134 1 0 56135 1 0 56136 1 0 57137 1 6 58138 1 0 59139 1 0 59140 1 0 63141 1 0 64142 1 0 M END