HMDB0008317 RDKit 3D PC(20:1(11Z)/22:2(13Z,16Z)) 154153 0 0 0 0 0 0 0 0999 V2000 -3.5321 -1.7169 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -2.8847 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -4.1846 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -4.2449 -2.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9673 -3.9668 -3.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0111 -4.9421 -2.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5335 -5.7737 -3.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2012 -5.9124 -4.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7227 -7.3010 -5.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -7.6836 -5.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5336 -6.7347 -6.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2615 -6.9072 -5.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1717 -5.9884 -5.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.1132 -4.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 -5.6958 -3.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2368 -5.9041 -2.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -5.4507 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1899 -6.0755 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -5.5096 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 -6.1184 1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -5.5249 3.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 -4.0566 3.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4388 -3.5544 2.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2442 -3.1573 4.1216 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -1.7872 4.0937 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8826 -1.1145 3.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.4735 2.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 -0.8858 1.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -0.0719 2.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 -1.0977 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 -0.0385 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 -0.2026 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 0.8900 -1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 0.6735 -1.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 1.7394 -2.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 1.8136 -3.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8063 2.8417 -4.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 4.2650 -4.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3883 4.7738 -4.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 5.2337 -2.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 5.3026 -1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 6.7601 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 7.3123 -0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2567 6.4922 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 7.0006 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 8.4117 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 8.8235 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0269 10.2164 2.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7677 -1.0893 5.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -1.2180 6.3442 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 -0.3677 7.7554 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0820 -1.3534 8.8997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 0.3287 7.7383 O 0 0 0 0 0 1 0 0 0 0 0 0 1.0090 0.8714 8.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 0.3184 7.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4117 1.1937 7.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 2.3848 6.9792 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7625 2.6244 6.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 2.4754 5.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 3.5241 7.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0066 -1.7692 -1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 -0.7642 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 -1.6256 0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -2.6094 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6258 -2.9773 0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7015 -4.9736 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 -4.4322 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -5.2200 -2.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -3.4609 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6601 -3.9427 -4.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2986 -2.9169 -2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3371 -4.9146 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3188 -6.4511 -3.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -5.1242 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 -5.9032 -5.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4387 -8.1033 -4.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3107 -8.7632 -5.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -5.6901 -6.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2143 -7.0080 -7.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -6.7438 -4.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9602 -7.9770 -5.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 -4.9333 -5.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0116 -6.0543 -6.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -5.4665 -5.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -7.1807 -4.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -4.6318 -3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 -6.3512 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -6.9920 -2.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0172 -5.3591 -3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 -5.8029 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 -4.3535 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 -5.8214 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 -7.1753 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 -4.4143 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3487 -5.8371 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5674 -7.2078 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 -5.9530 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 -5.7896 3.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -6.0591 3.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -1.4820 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -1.4165 4.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.0385 3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 -0.9822 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -2.0978 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.9846 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8864 -0.1822 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -1.1951 -0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4704 0.0239 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.8943 -2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 1.8427 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 -0.3431 -2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5933 0.6914 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 1.3999 -2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8046 2.6777 -2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 1.9532 -3.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 0.7880 -4.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 2.7654 -5.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8986 2.6057 -4.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4718 4.4522 -3.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 4.8755 -5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 4.7586 -5.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 5.5789 -2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 4.6943 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 5.0076 -1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2124 7.4156 -2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 6.8614 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 7.3024 -1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 8.3810 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4405 5.4565 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 6.3701 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 6.3119 1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 7.0045 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 8.4013 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 9.1200 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4477 8.1357 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 8.8415 0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 10.2264 2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3753 10.9691 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0152 10.4976 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8749 -0.0025 5.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 -1.3895 5.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3847 -0.5242 8.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -0.2221 6.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 1.3768 8.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2929 0.5629 7.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 1.7787 5.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 3.5178 5.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 2.8124 7.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 2.1993 6.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 3.5745 5.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 1.9957 4.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6872 4.4193 7.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1442 3.6803 8.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7523 3.2855 8.8407 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 1 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 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 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 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 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 6 26101 1 0 26102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 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 48139 1 0 49140 1 0 49141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 58146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 59151 1 0 60152 1 0 60153 1 0 60154 1 0 M CHG 2 53 -1 57 1 M END