HMDB0284218 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(10,12,15)-OH(9)) 130129 0 0 0 0 0 0 0 0999 V2000 5.6048 -1.3941 -2.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 -0.8634 -1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5004 -2.0506 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 -2.1507 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 -3.3155 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -3.9755 -0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4302 -4.1320 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2262 -4.8128 -1.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -5.0049 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0923 -5.6947 -3.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3282 -6.8455 -3.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 -4.8821 -4.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -4.4871 -5.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -3.6572 -6.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5594 -2.2972 -6.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5902 -1.2688 -5.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -1.3831 -4.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3394 -1.4041 -3.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 -0.1514 -2.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 0.9286 -3.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 -0.0337 -1.4523 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 1.1404 -0.9318 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9554 1.3873 0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 0.4182 1.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 0.5860 2.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 1.5708 3.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 -0.3751 3.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8836 0.2571 4.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 1.3154 5.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 2.6110 5.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8022 2.7327 4.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3505 3.4937 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3824 4.3476 3.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 4.7791 4.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 4.3237 4.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1068 4.9335 4.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 6.1171 3.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1711 6.0550 2.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 5.0474 2.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 3.6842 2.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8883 2.5611 1.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 1.5923 1.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5427 2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 0.4027 3.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4813 -0.9568 3.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2602 -1.9747 4.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -3.3892 3.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 1.8694 -1.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 1.8786 -2.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 3.5693 -3.4003 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8295 4.4225 -2.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6776 3.6198 -4.9538 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4101 3.8515 -3.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 4.8109 -2.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 4.4218 -3.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 5.3508 -2.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -0.5307 -3.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 -1.8313 -3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 -2.1117 -2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 -0.2934 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 -0.2238 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -2.8056 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 -1.3907 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -2.9557 1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 -3.9215 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -4.3580 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 -3.7520 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 -5.2242 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1804 -4.6385 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -6.0682 -2.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4795 -6.5744 -3.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 -5.5515 -5.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -4.0047 -4.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 -5.3862 -5.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 -3.9045 -4.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8445 -4.2727 -6.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -3.7168 -6.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -2.3136 -5.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 -1.9097 -7.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 -0.2787 -5.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -1.1320 -6.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 -0.3832 -4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.1082 -4.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 -2.2765 -2.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5838 -1.6392 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3475 1.9212 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9148 1.6483 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 2.3408 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4233 -1.1761 3.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0232 -0.8710 4.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 -0.6492 5.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8579 0.2431 4.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 1.1729 6.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5929 3.3473 6.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3888 1.8724 3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6712 3.4232 4.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9377 3.3051 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 4.7865 1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3477 5.9522 3.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 5.0653 5.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 3.3830 5.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 4.4625 4.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 6.5907 3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4748 6.9280 4.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 7.0007 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 5.2689 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 3.5586 3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4915 3.5361 3.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 2.5541 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 0.7382 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7122 1.1697 2.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 2.4468 3.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 0.6048 4.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 0.4432 4.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 -1.0783 2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3951 -1.1601 2.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -1.8690 5.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2437 -1.8303 4.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -4.0612 4.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -3.6947 3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -3.5831 3.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3171 1.4131 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3347 2.8953 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5676 4.0192 -5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 5.8470 -3.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8156 4.8463 -1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9342 3.4622 -2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 4.1329 -4.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 5.7137 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 4.8271 -2.5938 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 2 0 9 10 1 0 10 11 1 0 10 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 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 22 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 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 47121 1 0 48122 1 0 48123 1 0 52124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 M END