HMDB0112975 RDKit 3D PE-NMe(18:0/18:0) 136135 0 0 0 0 0 0 0 0999 V2000 -15.2831 2.6381 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6989 1.8612 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0376 2.5606 1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5071 1.8538 2.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9898 1.7562 2.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5253 1.0534 3.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0373 0.9078 3.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4643 0.0963 2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9850 0.0111 2.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2623 -0.8078 1.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4171 -0.2433 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8786 -0.9603 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4462 -1.3101 -0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9592 -2.3260 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -2.6189 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 -1.4162 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7825 -0.7626 1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8759 0.4025 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0664 1.3767 2.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 0.3858 0.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 1.4200 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3089 0.9816 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -0.3866 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 -0.2336 1.6074 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 -1.7541 2.1651 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1158 -2.1863 3.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 -1.6119 2.6394 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 -2.8917 0.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 -3.8381 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 -4.7601 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7902 -3.9980 -1.3352 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 -4.7703 -2.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 1.7373 -0.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 2.0976 -1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 1.6457 -2.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 2.9030 -1.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 3.0329 -3.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 1.6730 -3.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 1.0122 -2.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2464 -0.3538 -3.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2646 -1.0459 -2.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 -0.6351 -2.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0655 0.7280 -2.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6114 0.8838 -2.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1983 0.0178 -1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 0.1793 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0463 1.6126 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5475 1.7612 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1316 0.9020 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6037 1.2712 1.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2715 0.3406 2.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7586 0.5646 2.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3851 2.5512 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9588 2.1570 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9997 3.6912 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2006 0.8712 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6167 1.8052 -0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5723 3.5907 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1291 2.7314 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7367 2.4202 3.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9831 0.8600 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5908 2.7883 2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6872 1.2078 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9743 0.0344 3.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8207 1.6839 4.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5998 1.9389 3.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7907 0.4458 4.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8795 -0.9159 2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7601 0.6076 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5485 1.0261 2.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 -0.5153 3.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1762 -0.6243 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4636 -1.8800 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9303 0.8011 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5077 0.0465 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1447 -0.3330 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5307 -1.8941 -1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2465 -1.6435 -2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8714 -0.3327 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2531 -2.2346 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4568 -3.3117 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2579 -3.4371 0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3161 -2.9679 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 -0.7058 -0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5512 -1.7539 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -1.4664 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8282 -0.3697 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 1.5763 1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 2.3272 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 0.7036 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 -1.0110 0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -0.9399 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 -1.3958 3.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -3.3511 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1084 -4.3925 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -5.3161 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 -5.4981 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -3.3502 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 -4.9364 -2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 -4.2313 -3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 -5.7518 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 3.9620 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 2.6683 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5404 3.5760 -3.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 3.5201 -3.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 1.0461 -3.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3477 1.8520 -4.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7765 1.6892 -3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5607 0.9035 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 -0.9698 -3.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 -0.3801 -4.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 -2.1665 -2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 -1.0770 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2120 -1.3828 -1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1201 -0.8828 -3.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8865 1.4094 -3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 1.1301 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0430 0.7362 -3.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7096 1.9765 -1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8232 0.3753 -0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9100 -1.0505 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1603 -0.5436 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0698 -0.0195 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6244 2.2603 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6135 1.9545 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9092 1.4292 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8440 2.8316 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0014 -0.1761 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2507 1.0548 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8930 2.3340 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5110 1.2270 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9951 -0.6943 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8805 0.5774 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1704 -0.0088 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9131 1.6461 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2545 0.2324 3.6108 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 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 2 0 18 20 1 0 20 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 22 33 1 0 33 34 1 0 34 35 2 0 34 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 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 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M END