HMDB0008343 RDKit 3D PC(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) 144143 0 0 0 0 0 0 0 0999 V2000 3.0026 -2.6963 -5.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 -3.5213 -4.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -4.7888 -4.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 -5.6412 -3.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1391 -6.0877 -2.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -6.9261 -1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 -6.6286 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -5.3856 0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -5.8644 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 -5.5488 2.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9079 -4.6861 3.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -3.4561 3.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2834 -2.4944 4.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -1.2419 4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.4090 6.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -0.0401 6.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.6068 5.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 2.0164 6.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 2.5040 4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 3.8893 5.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 4.6832 5.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 4.3978 4.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 5.6991 4.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 5.7713 3.1351 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1309 5.2017 3.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 5.4393 2.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6227 4.8222 3.5371 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3106 4.0697 4.8153 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6997 6.0764 3.9708 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.4476 3.8527 2.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2779 2.5076 2.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0513 1.7157 1.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 0.2873 1.8509 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.7578 -0.3433 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7301 -0.0280 2.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0634 -0.2781 2.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4897 5.2573 1.9374 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 5.7295 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 6.9395 0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 4.8570 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 5.4525 -1.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 4.3372 -2.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 3.8417 -2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 2.6153 -2.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 1.6114 -2.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 1.1288 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 -0.0994 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -1.1914 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -2.2006 -1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3934 -2.5654 -1.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3319 -1.9834 -3.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 -1.3044 -3.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -0.7267 -5.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 -0.0240 -5.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9478 -0.9176 -5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1556 -0.1601 -6.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4968 0.9150 -5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7396 1.6862 -5.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 -2.0527 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4758 -3.3704 -5.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -2.0784 -5.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5918 -2.8916 -3.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 -3.6525 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 -4.5129 -5.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4412 -5.3949 -4.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9133 -5.0947 -3.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2919 -6.5945 -4.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 -5.1951 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 -6.7904 -2.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3219 -7.8553 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 -7.3305 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 -4.8224 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8683 -4.7998 -0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 -6.5243 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 -5.9643 3.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4182 -5.2055 4.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6704 -4.4168 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 -2.9416 3.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 -3.8066 4.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -3.0286 5.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0496 -2.2710 3.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -0.5975 5.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1554 -0.7418 4.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 -1.9439 5.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 -2.0122 6.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -0.2406 7.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 0.5565 6.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 0.7059 4.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 0.0016 5.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 2.0120 7.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 2.6866 6.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 2.4569 4.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 1.7700 4.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 6.4726 3.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 6.0265 5.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 6.8778 3.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 5.7306 4.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0657 4.1231 3.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6501 2.2455 3.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2006 2.2885 2.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 1.9718 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1192 1.9596 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 0.3069 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1436 -1.2651 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 -0.6128 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7771 0.4036 3.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6993 -1.1295 2.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8313 0.3406 2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9586 -0.0895 1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1884 0.1370 3.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9109 -1.3718 2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5787 3.9609 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0761 4.4416 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 6.2422 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 5.8600 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 4.9592 -3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2665 3.6814 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6871 4.5981 -2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 2.3050 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 1.8974 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 0.7732 -2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 1.8908 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -0.3387 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 -0.9141 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 -1.7479 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6469 -2.6472 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 -3.3443 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 -2.8901 -4.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 -1.4139 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -0.5833 -2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 -2.0999 -3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 -1.5502 -5.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 0.0042 -5.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5437 0.3191 -6.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 0.8863 -4.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7149 -1.7704 -6.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1063 -1.3427 -4.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9979 -0.8564 -6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9782 0.3563 -7.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6871 0.4078 -4.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 1.6733 -5.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6495 1.0836 -5.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8529 2.6118 -4.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6088 1.9944 -6.6223 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 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 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 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 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 34103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 58144 1 0 M CHG 2 29 -1 33 1 M END