HMDB0008263 RDKit 3D PC(20:0/14:1(9Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -12.0467 6.4542 1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5566 6.6261 1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9238 6.0687 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1773 4.5782 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5118 4.1506 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5733 3.2482 -1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0304 2.5000 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5375 2.7547 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7397 2.3558 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 2.6580 -0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 1.8715 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 2.1690 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 1.3093 1.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 -0.1128 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 -1.0232 2.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9368 -0.4306 0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0898 -1.7224 -0.4908 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7244 -2.0866 -1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 -2.1374 -0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 -3.0967 0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8873 -3.9245 0.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -3.2356 2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9765 -2.1192 2.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3357 -0.7789 2.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 0.2739 2.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 0.3289 1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 1.4093 1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 1.1539 2.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 -0.1271 2.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 -0.4360 1.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7193 -0.4680 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9526 -0.9215 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1272 -0.0009 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8099 1.3817 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 2.4969 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 2.5662 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0177 1.5332 -0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4021 1.7162 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5249 1.7578 -2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8658 2.8606 -3.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 -1.8314 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -3.1664 -1.9742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3366 -3.4543 -3.1484 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6411 -3.9144 -4.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1985 -2.0586 -3.4713 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3426 -4.7335 -2.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3673 -4.6540 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2362 -5.7782 -0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7141 -7.0645 -1.1545 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2655 -7.0113 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2443 -8.0561 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -7.4129 -2.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4682 6.0964 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5679 7.4183 1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3504 5.7620 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3604 7.7277 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0618 6.2630 2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3382 6.6321 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8397 6.2883 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2942 4.4091 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8445 4.0954 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8464 4.6498 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1730 3.0358 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1123 1.3874 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 2.6813 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1881 2.0983 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3356 3.8063 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8667 1.2421 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 2.8708 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 2.3666 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1141 3.7620 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 0.8055 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 2.0990 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1269 3.2312 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 1.7503 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4599 1.5926 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 1.4508 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4004 -2.3975 0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 -3.0835 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 -1.3506 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3376 -3.2077 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 -4.2348 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 -2.0603 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -2.3565 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 -0.7548 3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 -0.4915 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 1.2834 2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -0.0346 3.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8733 -0.6048 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7041 0.5284 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 2.3242 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8285 1.7380 0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 2.0140 2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 1.3332 3.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1436 -1.0090 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 -0.3456 3.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5203 -1.3993 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7963 0.3351 2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 -1.2236 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3682 0.4810 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2268 -1.9635 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 -0.8769 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9789 -0.4460 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4131 -0.1081 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 1.3557 -1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 1.7014 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9411 2.5576 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1886 3.5041 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8249 2.4865 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4819 3.6061 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7526 0.4862 -0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2004 1.4300 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8852 2.5720 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9834 0.8117 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6309 1.8163 -2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2246 0.7569 -2.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5705 3.2587 -4.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9977 2.5017 -3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6115 3.7566 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1433 -1.6670 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 -1.1231 -2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3706 -4.6497 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -3.6678 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2777 -5.7030 -1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2379 -5.7404 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8052 -8.0287 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 -6.3585 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9853 -6.5454 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8141 -9.0551 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3432 -8.0172 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -7.6938 0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2817 -8.4950 -2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 -6.8814 -2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3859 -7.0516 -3.2705 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 2 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 2 0 14 16 1 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 17 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 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 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 1 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 M CHG 2 45 -1 49 1 M END