HMDB0011220 RDKit 3D PC(P-16:0/20:4(5Z,8Z,11Z,14Z)) 133132 0 0 0 0 0 0 0 0999 V2000 5.5305 -3.1253 3.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -3.0228 4.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -2.4634 5.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6128 -1.0969 5.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 -0.0709 4.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 1.2036 4.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 1.8738 3.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2392 1.4565 2.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1577 2.5685 2.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 3.3079 0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9293 3.1523 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1552 4.4031 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 4.5369 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0379 3.3650 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 3.2544 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 2.2221 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 1.0590 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 0.9008 -2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2681 0.6865 -3.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 -0.5456 -3.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -1.6264 -3.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 -0.6101 -2.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 -1.7904 -2.2917 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8193 -1.4990 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -0.9874 -3.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 0.1226 -4.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1477 1.3652 -3.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 1.6196 -2.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 1.0577 -2.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 1.3463 -1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1101 0.9936 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6304 -0.3767 -0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7266 -1.0973 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3327 -2.4962 -1.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4914 -3.2411 -3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2986 -2.6974 -4.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7342 -2.4162 -4.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1232 -1.3776 -3.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6582 -1.2289 -3.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0617 -0.1787 -2.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4884 1.1820 -2.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -2.1948 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2204 -2.4252 -0.6269 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 -2.8771 0.8964 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7300 -4.3890 1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 -2.3617 1.0885 O 0 0 0 0 0 1 0 0 0 0 0 0 0.7299 -2.2497 2.1394 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 -0.9589 2.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -0.3825 3.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.9231 3.9336 N 0 0 0 0 0 4 0 0 0 0 0 0 2.1800 1.2813 3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 1.1604 5.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 1.9057 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6877 -3.7195 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2179 -2.0802 3.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9001 -3.6070 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4954 -2.4496 3.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -4.0695 4.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0608 -2.4977 6.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 -3.1791 6.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2855 -0.7666 6.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7164 -1.1515 4.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3913 0.0264 5.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0018 -0.4832 4.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 1.6285 5.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 2.8251 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 0.5633 2.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 1.3056 1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 2.7333 2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7711 4.0821 0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4768 3.1235 -0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 2.2203 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 5.3054 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 5.5387 0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 2.5304 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 3.7300 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 4.0926 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 2.1743 -1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 0.1570 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 0.9453 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 1.8207 -2.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 0.0185 -2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5462 1.5324 -3.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7923 0.5342 -4.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -2.6329 -2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 -0.9002 -1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -2.4989 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -0.0033 -5.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 2.1635 -4.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 1.4076 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9859 2.7415 -2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2099 0.0433 -2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8734 1.6488 -3.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0437 0.9503 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6233 2.4808 -1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3213 1.4979 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8228 1.6600 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7017 -0.3637 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0956 -1.0066 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3789 -0.4911 -2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7299 -1.3094 -2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4592 -3.0535 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1123 -2.5380 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4623 -3.5205 -3.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9045 -4.2697 -2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2390 -3.4440 -5.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8247 -1.7856 -4.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1480 -2.1473 -5.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3162 -3.3587 -3.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7390 -1.4584 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7766 -0.3710 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1415 -2.1809 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0366 -0.9309 -4.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1659 -0.0940 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7356 -0.5327 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9941 1.9385 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6817 1.4683 -3.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4037 1.2582 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -1.3989 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -3.1117 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2964 -1.1122 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 -0.3923 1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6366 -0.4369 3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 -1.0801 4.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 0.8973 2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 2.4048 3.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8565 0.9922 4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 0.4582 6.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 2.2211 5.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5723 1.1389 5.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4251 2.0720 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 1.5362 3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 2.8739 3.7488 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 2 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 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 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 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