HMDB0011317 RDKit 3D PC(P-18:1(9Z)/20:3(5Z,8Z,11Z)) 139138 0 0 0 0 0 0 0 0999 V2000 3.5057 3.0569 -6.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 1.9709 -5.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 1.4356 -4.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 2.5571 -3.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 2.1217 -2.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 3.3551 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 3.1444 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3472 2.6581 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 2.4959 1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 1.4010 2.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2166 0.1334 1.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -1.0626 1.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -1.3240 2.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -0.3601 3.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 -0.6958 4.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -0.9420 5.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -0.9051 4.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 0.1698 5.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 0.0546 4.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0112 1.0129 4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 1.7956 5.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 1.0805 3.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 1.9243 3.8373 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4682 1.0668 3.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6018 0.2559 2.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7066 -0.5720 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5591 -1.8219 2.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2108 -2.3068 1.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1956 -2.8452 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 -3.3490 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6874 -3.9109 -1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 -4.5244 -1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 -3.8310 -1.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 -3.2198 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -3.5852 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 -4.6745 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 -4.3146 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8428 -3.3179 -2.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 -3.1126 -2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 -2.1348 -3.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 -2.0661 -3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 -1.1145 -4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8981 -1.1001 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4175 2.8053 2.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 3.6388 2.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 4.6028 1.3778 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4492 5.4700 1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0536 5.5933 1.5086 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.8780 3.6553 -0.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 4.2363 -1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1384 3.4936 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6987 2.1212 -2.1973 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6142 1.3060 -1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6109 1.5731 -3.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3881 2.0130 -1.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5285 2.6697 -6.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 3.1805 -7.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 4.0070 -5.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 1.1916 -6.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 2.3921 -5.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 0.6217 -4.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 1.0401 -4.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 3.0016 -3.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 3.3252 -3.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5115 1.6545 -2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 1.4100 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 4.1343 -1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 3.6953 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 2.4002 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 4.0637 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4026 1.7565 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9639 3.4598 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5012 3.4358 2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 1.5299 3.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 -0.0959 1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2343 0.2971 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8965 -1.9748 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 -2.3870 2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6749 -0.1730 2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1945 0.6286 3.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -0.7178 5.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 -1.1844 6.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -1.0502 3.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.8728 5.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 1.1597 5.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -0.1026 6.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -0.9672 4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 0.1596 3.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 2.6136 4.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 0.3650 4.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 1.6558 4.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6903 -0.1737 3.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4001 -2.5211 2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4367 -1.5482 2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -3.2070 2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8989 -3.6764 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3369 -1.9950 -0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0927 -2.4562 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 -4.0804 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0461 -3.1096 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5265 -4.6945 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6426 -5.0059 -2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 -5.4798 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 -4.4614 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -2.9728 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9777 -2.3712 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0119 -3.0119 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -5.3109 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 -5.4059 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 -3.8631 -0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 -5.1998 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 -3.6339 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -2.3698 -1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -2.6411 -1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7776 -4.0834 -2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1221 -1.1555 -3.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 -2.4891 -4.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 -1.6804 -2.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4365 -3.0782 -4.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 -0.0919 -4.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8774 -1.4228 -5.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -2.0970 -4.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3682 -0.3452 -4.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1338 -0.8306 -6.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 3.4407 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5146 2.1278 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4991 5.2466 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 4.3918 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 4.0305 -3.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1728 3.4979 -2.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6543 1.6248 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 1.3871 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5211 0.2676 -1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6212 1.2575 -3.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8956 0.7112 -3.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2525 2.3204 -4.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 0.9972 -1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 2.7250 -2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 2.1073 -0.4888 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 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 2 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 26 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 53131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M CHG 2 48 -1 52 1 M END