HMDB0289723 RDKit 3D PC(P-18:1(11Z)/18:3(9,11,15)-OH(13)) 134133 0 0 0 0 0 0 0 0999 V2000 -8.0633 7.3463 9.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3278 5.8660 8.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1155 5.1370 8.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0913 4.5090 7.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8906 3.7720 6.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1432 2.2877 6.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5792 1.6273 7.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9009 1.7339 6.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8131 1.1918 4.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5641 0.6633 4.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 0.1156 3.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 -0.4002 2.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -1.8720 2.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 -2.7808 3.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7689 -2.8651 4.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 -3.2115 4.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 -2.2145 4.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0179 -2.5918 4.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -1.5274 3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2038 -0.5654 4.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 -1.4391 2.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 -0.3474 1.6907 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0193 0.4202 0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 -0.2966 -0.4163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 -1.4520 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 -1.6821 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -2.8738 -1.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 -3.6689 -2.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2571 -4.8861 -3.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -4.5574 -3.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 -3.7998 -4.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 -3.5172 -4.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -2.8967 -5.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 -1.5688 -5.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -0.5169 -4.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 0.3233 -4.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 0.2987 -5.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 0.1532 -4.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 0.1443 -5.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0589 0.0589 -4.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 1.2391 -3.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 1.1853 -3.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 -0.7578 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7904 0.3916 0.5852 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2613 0.1520 -0.1969 P 0 0 0 0 0 5 0 0 0 0 0 0 8.1999 -0.5499 0.7543 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 -0.7277 -1.6229 O 0 0 0 0 0 1 0 0 0 0 0 0 7.9095 1.6960 -0.5081 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 2.3801 -1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 3.7293 -1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9551 4.5647 -2.5642 N 0 0 0 0 0 4 0 0 0 0 0 0 5.6197 4.7516 -2.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 3.9947 -3.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 5.8955 -2.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9212 7.9788 8.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1778 7.6954 8.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9249 7.6066 10.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0927 5.8082 8.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8150 5.4409 9.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2604 5.1323 9.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 7.1561 1.7932 -2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7149 4.2202 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 3.6351 -1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 4.9946 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0364 3.8079 -2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0675 5.5790 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0101 4.8210 -4.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 3.5792 -4.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6872 3.2646 -4.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9879 6.4610 -3.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6197 5.8201 -2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 6.3447 -1.6297 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 1 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 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 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 2 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 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 1 23 85 1 0 23 86 1 0 25 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 47 -1 51 1 M END