HMDB0013415 RDKit 3D PC(O-16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 133132 0 0 0 0 0 0 0 0999 V2000 0.0327 2.4695 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 3.8256 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 3.7801 1.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 2.7221 2.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8137 2.6193 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1295 3.9000 4.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 4.0205 5.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 2.9281 6.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0407 3.3005 7.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 2.5878 7.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 1.3195 7.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 0.2304 8.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -0.5096 8.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7997 -0.4407 7.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 0.5727 6.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5262 0.2771 5.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -1.0634 4.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7087 -1.2532 3.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 -2.6836 3.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -2.9116 2.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2969 -2.0191 1.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 -4.1089 1.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 -4.2853 0.2060 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0523 -4.5756 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 -3.5966 -1.2715 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 -3.7870 -2.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8193 -2.8008 -2.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5848 -1.3696 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7359 -0.6624 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 -0.9960 -3.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4778 -0.2200 -4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 1.2867 -4.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 2.0201 -5.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3621 3.4412 -5.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 4.3709 -4.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1155 4.2770 -3.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 4.9598 -3.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 4.7296 -4.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 5.0722 -5.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 4.5241 -6.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 5.0070 -8.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 -5.4524 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 -5.6679 -0.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5084 -6.9891 -0.4325 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9714 -8.1616 -1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 -7.4039 1.1854 O 0 0 0 0 0 1 0 0 0 0 0 0 4.0181 -6.5728 -1.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -5.2504 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 -4.7262 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 -4.7335 -2.6371 N 0 0 0 0 0 4 0 0 0 0 0 0 5.8223 -3.3665 -3.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -5.4325 -3.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 -5.4031 -3.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 1.8657 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 1.9480 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 2.6039 -0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 4.5845 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 4.1245 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 3.5145 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 4.7908 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 1.7682 2.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6522 2.9647 3.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 2.4683 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8598 1.7281 4.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 4.7879 3.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 5.0256 6.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 3.0705 7.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 1.9313 6.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 4.2299 8.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 2.9499 8.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 1.4130 6.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 1.0401 6.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4694 0.0302 8.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -1.2960 9.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1605 -1.4724 7.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 -0.2392 8.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 1.6611 7.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 1.1516 4.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 -1.9157 5.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6727 -1.1459 4.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 -1.2293 4.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 -0.4999 2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9651 -2.8372 2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6846 -3.3986 4.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3089 -3.3559 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 -5.6019 -1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -4.5003 -1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 -4.8168 -2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -3.9999 -3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4172 -3.0283 -3.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 -3.0263 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6292 -0.8756 -2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 -1.0932 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 -0.6369 -4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 0.4491 -3.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8582 -0.7772 -2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 -2.0742 -3.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.4808 -4.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 -0.3922 -5.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2538 1.3673 -3.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 1.5171 -4.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.6529 -6.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 1.6045 -5.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0762 3.8797 -6.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1165 5.4420 -4.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 4.7707 -2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 3.2328 -3.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 4.8905 -2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 6.1109 -3.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4121 5.2954 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 3.6280 -4.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 6.2240 -5.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4224 4.8190 -6.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 3.4636 -6.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 5.0739 -6.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 6.0398 -8.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8767 4.8938 -8.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 4.3496 -8.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2447 -5.3329 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0523 -6.3907 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -4.5741 -0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 -5.2578 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6799 -3.6876 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3782 -5.3134 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 -3.4014 -4.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 -2.7552 -2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8340 -2.9952 -2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7392 -5.1471 -4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 -5.1356 -3.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 -6.5350 -3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 -5.4353 -4.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0346 -6.4178 -2.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7926 -4.7418 -2.6744 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 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 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 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 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 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 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 6 24 86 1 0 24 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 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 41118 1 0 42119 1 0 42120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M CHG 2 46 -1 50 1 M END