HMDB0114550 RDKit 3D PE-NMe2(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -7.0092 0.7533 -2.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2479 -0.5709 -1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5975 -1.5128 -2.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8153 -2.1310 -3.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3988 -2.2384 -3.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 -1.7068 -2.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -2.6131 -2.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 -3.9979 -2.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 -4.9494 -1.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 -4.8871 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2276 -3.7373 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -4.0976 1.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -3.9974 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -3.4195 1.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 -4.5453 2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6901 -4.2211 2.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 -2.8253 3.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 -2.5866 4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 -1.2204 5.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 -0.0575 4.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 1.1859 5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 2.4254 4.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 3.4961 4.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 2.5253 3.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 3.7166 3.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 3.4387 2.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 4.5478 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 4.3320 0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 4.0774 -0.7354 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1227 3.6312 -0.0813 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 2.5972 -1.7484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 5.1300 -1.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 5.0395 -2.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 4.9691 -4.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 6.0264 -4.4925 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 6.1313 -3.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 6.8739 -5.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0912 2.2893 1.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7753 1.1593 1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 0.9084 2.0839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 0.1422 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2636 0.3306 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7716 -0.4318 -0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 -0.0768 -1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 -0.5176 -2.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1378 0.0428 -2.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1575 -0.6511 -1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 0.2826 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 0.5318 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9276 -0.1670 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 -1.0219 1.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1589 -2.0072 2.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -2.8732 1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9811 1.4737 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9885 0.4327 -2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4923 1.1520 -3.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6762 -0.8978 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -0.2576 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7115 -1.6384 -2.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3932 -2.8099 -4.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 -1.5805 -4.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -3.2109 -4.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 -0.6563 -2.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7664 -2.2021 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -4.4903 -2.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 -4.2323 -3.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 -5.9549 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 -5.7749 0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 -3.0133 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2172 -3.1899 0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5807 -4.5979 2.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 -4.3355 3.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4481 -3.3927 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -2.5163 2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 -5.5450 1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4074 -4.9820 3.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5909 -2.0357 2.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 -2.7300 3.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -2.8736 4.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 -3.2889 5.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 -1.0655 5.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5678 -1.1443 6.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 0.0833 3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 0.0024 4.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0345 1.0529 5.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 1.1716 6.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 3.9595 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 4.5056 3.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 3.7107 2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2881 4.6045 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 5.4933 1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 2.3550 -1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 4.1639 -2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3639 5.9694 -2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6269 4.0126 -4.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 4.6663 -5.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 6.8225 -2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 5.1016 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 6.5067 -4.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 6.9530 -6.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3522 7.9061 -5.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9727 6.3901 -6.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6754 0.3643 -0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 -0.8507 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 1.3630 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 -0.1958 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.5228 -0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 -0.2458 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 1.0131 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 -0.5669 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7871 -1.6135 -2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -0.0823 -3.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0828 1.1241 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 0.0215 -3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -1.2312 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 -1.4411 -2.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8061 0.7388 -2.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4971 1.1969 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 -0.7250 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5807 0.6300 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7004 -1.4406 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4165 -0.3065 2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5075 -1.6101 3.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8519 -2.7203 3.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3963 -2.4665 1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 -3.9062 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9442 -2.8858 0.5900 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 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 26 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 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 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 31 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 36 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 37102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M END