HMDB0008773 RDKit 3D PC(24:0/20:4(8Z,11Z,14Z,17Z)) 158157 0 0 0 0 0 0 0 0999 V2000 -10.3740 -2.7607 5.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9726 -1.6341 4.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5024 -1.7049 4.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6339 -0.7642 4.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0315 0.5271 5.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7622 1.7842 4.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1921 2.0508 3.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6744 1.0351 2.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4081 1.3069 1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7263 1.5970 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 1.7097 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 3.1082 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 3.3171 -1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9757 2.2418 -2.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 2.3571 -2.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 1.2348 -3.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 1.2239 -4.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3864 2.4287 -5.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 2.4686 -5.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 2.4266 -5.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 3.4732 -4.8637 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 1.2803 -4.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 1.2633 -3.7732 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7459 0.1229 -4.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0274 -0.0278 -3.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8173 -1.0726 -4.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2692 -1.8015 -5.0478 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1479 -1.4653 -3.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8556 -0.6172 -2.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -0.4778 -1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8729 -1.8451 -0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 -1.6286 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -2.9483 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 -2.7517 2.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -1.8774 2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -2.5018 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2705 -3.7720 1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 -4.3687 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 -5.5170 0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8934 -6.2835 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 -5.6120 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -4.8143 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -3.5719 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -2.8837 0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6356 -1.5787 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8465 -0.8652 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 0.4431 2.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 0.2457 3.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 -0.5953 4.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 -0.6774 5.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 1.1240 -2.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 2.2224 -1.8487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5729 2.1586 -0.2092 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1126 0.8056 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9765 2.5369 0.6812 O 0 0 0 0 0 1 0 0 0 0 0 0 1.3908 3.3253 0.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 3.8745 1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 4.9258 1.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 6.0564 0.9391 N 0 0 0 0 0 4 0 0 0 0 0 0 1.1942 7.2464 1.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 6.3595 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 5.8383 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4287 -2.6741 5.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0689 -3.7377 5.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7630 -2.6191 6.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4834 -1.9001 3.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4232 -0.7309 4.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0343 -2.6422 4.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5471 -0.9977 4.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5011 0.6093 6.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1166 0.4965 5.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1248 2.6919 5.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1033 3.1369 3.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8639 -0.0196 2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6028 1.1304 2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4743 1.2415 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2871 1.7872 -0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8346 0.9876 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 1.6648 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2374 3.9576 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2165 4.3806 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4906 2.3359 -3.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 1.2121 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 2.3523 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 3.3169 -3.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 1.1508 -4.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 0.2473 -3.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.2188 -3.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 0.3195 -4.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 3.3329 -4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 2.4731 -5.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 3.4367 -6.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 1.6951 -6.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 2.2554 -3.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -0.8497 -4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8341 0.1208 -5.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -2.5225 -3.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8093 -1.5349 -4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8935 -0.9967 -2.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0116 0.4332 -3.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7267 0.0896 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1584 0.0325 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8151 -2.3630 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 -2.4357 -1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -1.0237 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 -1.0394 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7093 -3.4504 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2466 -3.5844 0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 -3.7427 2.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5655 -2.2846 3.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 -1.8349 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 -0.8301 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -1.7471 0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5185 -2.7012 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 -4.5179 1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5908 -3.5648 2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -4.8045 -0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -3.5600 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -5.3609 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -6.2734 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -7.0776 0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -6.8749 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 -6.4150 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 -5.0050 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -5.4692 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 -4.5019 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -3.6950 1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -2.8195 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 -3.5378 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 -2.6817 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 -1.9408 2.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 -0.9715 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2723 -1.5031 2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 -0.7015 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 0.9014 3.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 1.1400 1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 1.2180 4.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5303 -0.2765 3.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 -1.6236 4.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9275 -0.1266 5.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 0.3362 5.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 -1.4031 5.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3758 -0.9955 6.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 0.1876 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 1.0422 -1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 4.2471 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 3.0771 2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 5.2321 2.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3394 4.4297 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 8.1329 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 7.3017 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 7.1995 2.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 5.4944 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 6.5635 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 7.2515 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1915 6.8109 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 5.4240 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5111 5.1714 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 26 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 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 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 1 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 60150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 61155 1 0 62156 1 0 62157 1 0 62158 1 0 M CHG 2 55 -1 59 1 M END