HMDB0008546 RDKit 3D PC(22:0/22:1(13Z)) 164163 0 0 0 0 0 0 0 0999 V2000 -6.2796 9.8457 -3.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5513 9.1089 -5.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 8.7430 -5.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4858 7.8738 -4.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 7.4243 -5.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2444 6.6348 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 6.1388 -6.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 5.2227 -5.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 4.7620 -6.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 3.4941 -6.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 2.4447 -6.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 1.3988 -5.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0577 0.6970 -6.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -0.3574 -5.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 0.2401 -3.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -0.8970 -2.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 -0.3626 -1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -1.2838 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -2.1679 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7534 -3.1237 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 -4.0965 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -4.9302 -2.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 -5.6897 -3.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 -4.8752 -1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -5.6570 -2.5738 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8275 -4.8278 -3.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -4.1597 -2.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 -3.3393 -2.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 -3.2036 -3.9039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4695 -2.6439 -1.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -1.2406 -1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 -1.0474 -0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5564 0.4153 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 0.5867 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9037 2.0079 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 2.1161 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 3.4924 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 3.5513 2.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 2.4809 3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 2.5828 4.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0568 1.4534 5.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 1.5021 5.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9805 0.4684 6.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4267 0.1837 8.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 -0.3336 8.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -0.6068 9.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -1.1004 9.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -2.3617 8.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4722 -2.6703 9.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8731 -3.9353 8.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 -6.6751 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -7.4275 -1.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -8.5931 -0.0125 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3008 -9.7156 -0.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2058 -9.1805 -0.4640 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.7333 -7.9280 1.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -7.8829 2.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 -7.2752 3.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 -7.1738 4.1543 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5527 -7.7387 5.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 -5.8007 4.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 -7.8683 3.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 9.0812 -3.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0738 10.5758 -3.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3312 10.4190 -3.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1513 9.7557 -5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 8.1891 -4.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 8.2860 -6.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6783 9.7127 -5.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1478 6.9871 -4.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 8.3988 -3.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 8.3237 -5.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6327 6.8299 -4.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9701 5.8261 -6.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6365 7.3341 -7.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0206 5.6598 -7.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 7.0391 -7.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 4.5110 -5.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9279 5.9382 -5.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 5.5539 -6.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 3.2281 -7.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 2.6948 -6.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 1.8263 -7.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 1.8680 -4.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 0.6645 -5.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 1.4039 -6.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 0.1964 -7.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -0.8764 -5.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 -1.1398 -4.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 0.9690 -3.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2002 0.7696 -3.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -1.3669 -3.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 -1.6452 -2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 0.2898 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7972 0.4385 -1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.6099 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4332 -1.8683 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 -2.7937 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 -1.4870 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -3.8329 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8977 -2.7392 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2299 -4.7123 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -3.6310 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -6.2172 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 -4.0979 -3.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4667 -5.4992 -3.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5436 -2.6282 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 -3.2662 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2005 -0.5603 -2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9149 -0.8153 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 -1.6217 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 -1.2981 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7422 1.0656 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3166 0.7224 0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 0.3542 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 -0.0840 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 2.7530 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5734 2.2801 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 1.9409 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 1.2982 1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7207 4.2254 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 3.7716 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 3.4095 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 4.5290 2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 2.6702 3.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 1.4641 2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6826 2.5526 4.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 3.5686 4.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 1.6983 6.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 0.5142 4.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 1.4546 4.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 2.5308 6.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0906 0.7292 6.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0867 -0.5302 6.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 -0.6348 8.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 1.0237 8.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 -1.3488 7.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2461 0.3500 7.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 0.3635 10.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -1.3131 10.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -1.2582 10.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4355 -0.3349 9.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 -3.2317 9.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 -2.1340 7.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6974 -2.8047 10.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 -1.8282 8.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8114 -4.7831 9.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 -4.0855 7.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9479 -3.8529 8.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 -6.1972 -0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9212 -7.3652 -2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -8.8733 2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 -7.2062 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 -6.2180 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2826 -7.8011 4.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3194 -7.3118 6.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -7.4856 5.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 -8.8457 5.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 -5.1414 3.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1329 -5.4949 5.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1245 -5.6450 3.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 -8.9542 3.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 -7.6838 3.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 -7.5017 2.4179 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 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 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 25 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 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 25104 1 6 26105 1 0 26106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 48143 1 0 48144 1 0 49145 1 0 49146 1 0 50147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 60156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 61161 1 0 62162 1 0 62163 1 0 62164 1 0 M CHG 2 55 -1 59 1 M END