HMDB0113991 RDKit 3D PE-NMe2(18:0/18:3(6Z,9Z,12Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -7.4569 1.8188 -6.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5473 0.3674 -6.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2241 0.3965 -4.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 1.2127 -4.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1273 1.2484 -2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3213 -0.0959 -2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8287 -0.4928 -0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 0.3981 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6882 0.5273 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2079 0.1650 2.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -0.4288 2.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9468 -0.8350 1.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 -0.3423 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2534 0.7522 2.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 0.2786 3.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -0.8635 4.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 -1.1819 4.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 -1.6008 3.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 -1.5398 4.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 -2.0523 2.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 -2.4402 1.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 -3.9177 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 -4.6397 0.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 -4.9464 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -4.3127 -1.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -6.0110 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 -5.5979 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -4.4843 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 -4.2900 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5107 -3.2761 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 -1.8613 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 -1.2752 0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 0.1667 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2305 0.5011 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9877 1.9750 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8982 2.6175 1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8011 2.1470 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 2.3471 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 1.8927 2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3814 2.6270 3.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 4.0693 3.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 5.0314 3.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 -1.6384 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 -1.7204 -0.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5709 -0.7976 -1.7150 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6093 -1.7253 -2.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 0.4044 -1.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 -0.0898 -1.6211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 0.1794 -2.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 0.8192 -2.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7897 2.0609 -2.1308 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1423 2.5728 -2.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 1.8848 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4911 1.7950 -7.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5466 2.2772 -6.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3320 2.3608 -6.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5403 -0.0484 -6.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1971 -0.1611 -7.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2550 0.7550 -5.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2817 -0.6390 -4.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4012 0.8042 -3.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3955 2.2462 -4.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1936 1.5754 -2.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7797 2.0337 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9332 -0.8423 -2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0225 -1.5087 -0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9957 1.4428 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9974 -0.0167 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7351 0.9837 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 0.3564 3.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2188 -1.3705 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4989 0.2053 3.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 -1.6911 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -0.7490 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8245 1.5152 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9876 1.2710 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 -0.0116 2.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 1.1359 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -1.7675 3.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -0.6380 5.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 -1.9993 5.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 -0.2189 5.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -2.2384 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -4.3810 2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 -3.9501 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 -6.3776 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9277 -6.8598 0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 -6.5082 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5535 -5.3021 1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4235 -4.8125 -1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -3.5480 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 -5.2833 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5689 -4.1271 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 -3.6194 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5463 -3.2631 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6998 -1.2269 -1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 -1.8461 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1469 -1.9082 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8619 -1.4269 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 0.7156 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 0.5251 1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -0.0724 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 0.1738 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8977 2.4231 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 2.2731 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 3.7337 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8635 2.4546 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 2.6181 3.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8821 1.0373 2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 1.7101 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 3.4098 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6429 0.8021 2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 1.7968 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3119 2.3897 4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 2.1422 4.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 4.3496 4.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 4.2366 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 5.4186 2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 4.8045 3.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9566 5.9873 3.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 -2.0608 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -0.5740 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 1.2799 -1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3305 0.8411 -3.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 -0.7359 -3.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 1.0732 -3.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5423 0.1274 -2.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 3.0519 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8707 1.7756 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 3.3578 -2.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9046 2.6914 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 1.9537 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.8931 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 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 1 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 21 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 47123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 52128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END