HMDB0288580 RDKit 3D PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9,11,15)-OH(13)) 137136 0 0 0 0 0 0 0 0999 V2000 -1.2701 -0.0513 -6.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 0.1142 -5.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 -0.3718 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 0.3475 -3.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 1.7390 -3.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0961 2.3077 -3.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 1.7697 -2.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3244 0.3099 -2.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -0.1828 -3.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3948 -0.7443 -3.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 -1.0361 -1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2354 -0.3000 -1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3473 -0.9787 -1.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4437 -2.4409 -1.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2718 -2.9091 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0391 -3.6360 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -4.3041 0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 -4.1312 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 -3.6399 1.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6447 -3.2733 2.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 -1.8342 2.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 -1.4450 2.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 -0.2256 2.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9169 -2.2517 2.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -2.1069 1.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 -1.3268 0.6884 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5442 0.1010 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 0.8320 1.7583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 2.4326 1.6109 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7511 3.1432 2.9301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 2.3304 0.9552 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6759 3.2336 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 4.6045 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 5.3733 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 5.1118 -0.1779 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8771 4.0287 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 6.3130 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8657 4.8769 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 -1.3463 0.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -1.9039 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5665 -2.4463 -1.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6035 -1.8136 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 -2.3270 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 -3.7577 -1.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5925 -4.7083 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9743 -4.4629 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -5.4821 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6222 -5.1188 1.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4613 -3.7515 2.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1204 -2.6927 2.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 -1.4161 2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4317 -0.2971 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0577 0.9557 3.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2384 0.7161 4.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 1.2077 2.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0399 2.4022 3.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0292 2.2837 4.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3616 3.3913 5.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 4.7405 4.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 0.6384 -7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0029 0.0367 -5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -1.0847 -6.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 -0.4949 -6.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 1.1479 -6.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 -1.4336 -4.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.1623 -2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 2.2417 -2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3759 2.2081 -4.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 3.4464 -3.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 2.3831 -2.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 -0.3044 -2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 0.2192 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 -0.0193 -4.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 -1.0945 -4.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0013 -2.1013 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 -0.6012 -1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 0.7678 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 -0.3870 -1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5476 -3.0121 -1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0883 -2.7033 -2.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3513 -2.5225 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9738 -3.7986 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8186 -4.1022 2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1033 -5.4532 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3965 -4.4265 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6066 -3.5382 0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 -3.6468 2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7589 -3.8223 2.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6445 -1.5704 3.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -1.2070 2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 -1.6429 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 -3.1297 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3569 -1.8366 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 0.2820 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0309 0.5750 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 4.8896 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8891 4.8522 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 5.0392 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2154 6.4590 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 4.0652 -2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9622 4.1089 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 3.0641 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 6.4008 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2911 6.2785 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5145 7.1802 -0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6193 5.7304 1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 3.9353 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 4.8222 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9115 -2.3190 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 -0.7366 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -1.7142 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 -2.0808 -1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 -4.0183 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0138 -3.9907 -2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 -4.6155 0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5947 -5.7237 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -4.7151 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1727 -3.4351 0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2203 -6.4944 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4949 -5.3674 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2976 -5.0122 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9735 -5.8340 2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7046 -3.6460 3.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 -2.7672 1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0788 -1.3925 3.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1831 -0.2190 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6844 1.8114 2.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3466 0.7086 4.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5333 1.3592 1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0204 0.2886 3.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4459 3.3831 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 1.2827 4.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4229 3.2263 6.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 3.4064 4.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5366 5.4718 5.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 5.0443 3.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0686 4.7088 4.8479 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 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 6 27 94 1 0 27 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 36100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 38108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 51125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 31 -1 35 1 M END