HMDB0011449 RDKit 3D PE(P-18:1(9Z)/20:3(5Z,8Z,11Z)) 130129 0 0 0 0 0 0 0 0999 V2000 15.0060 0.4749 2.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3656 0.1592 1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0602 0.1126 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3996 1.4692 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0885 1.3811 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3552 2.6600 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0995 2.7394 -1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9196 1.9351 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9078 0.4943 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1070 -0.1450 -1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1495 0.4843 -2.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7701 0.0320 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 0.7388 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 2.2424 -1.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 2.7447 -2.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8664 3.5283 -2.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 3.9819 -1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 3.4906 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 1.9655 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 1.4497 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 2.1897 -0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0909 0.0809 -0.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.5800 0.3132 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0092 -1.2377 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1862 -1.8851 2.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 -2.5473 3.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -3.4674 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -3.9489 2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4255 -3.6432 3.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -2.1197 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5214 -1.5707 4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5142 -0.0868 4.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8557 0.6683 3.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0882 0.4462 2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6546 0.0014 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0841 -0.2991 0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7662 0.5543 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2428 0.2332 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9610 1.0311 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7786 2.4817 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4117 3.3739 -2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8909 3.3340 -2.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5139 2.0562 -2.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 -1.5141 -0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -2.5017 -1.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6366 -3.5587 -2.1691 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4144 -3.0218 -3.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2843 -3.8432 -1.8861 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -5.0201 -2.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4515 -5.1499 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -6.4023 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -6.3187 -1.1486 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6395 -0.0863 3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 0.1880 2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1905 1.5663 2.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9337 -0.7659 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9378 1.0303 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3839 -0.6562 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2780 -0.0977 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9888 2.2709 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0890 1.6805 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4345 1.2169 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5520 0.4893 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0938 3.4534 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2270 3.0128 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7496 3.8397 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3447 2.6979 -2.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9681 2.4262 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7428 2.1358 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 -0.1045 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -1.2579 -1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 -0.0048 -3.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3077 1.5457 -2.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6354 -1.0718 -2.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 0.3517 -1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 2.4766 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8509 2.6224 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9947 2.4134 -3.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 3.8740 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 5.1039 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 3.6935 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 3.7912 0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 3.8028 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 1.5487 -0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 1.6261 -1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 0.2564 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -0.4509 2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 -2.0001 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 -2.2334 4.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9664 -3.9577 4.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 -3.3677 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0791 -5.0318 2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3161 -4.0623 4.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2968 -4.0080 3.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -1.7297 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3991 -1.8978 4.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4826 -1.9794 4.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4243 -1.9492 5.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 0.3052 5.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4429 0.2143 4.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 1.8076 3.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9773 0.6835 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0162 0.6280 2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0297 -0.1458 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2111 -1.3853 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6629 -0.2763 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2881 0.3922 -1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6424 1.5990 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7425 0.5430 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3989 -0.8530 -0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0401 0.7019 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6000 0.6598 -2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6623 2.6965 -1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0997 2.7568 -0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9987 3.0446 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0388 4.4356 -2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2211 4.1996 -2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3611 3.6276 -1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8631 1.3770 -3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0701 1.5824 -1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2973 2.3631 -3.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 -0.9675 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6911 -2.0604 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 -4.2099 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3899 -5.1950 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1295 -4.2645 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5829 -6.3848 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -7.2945 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 -5.4692 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.1868 -1.7164 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 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 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 2 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 42 43 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 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 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 26 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 48124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 M END