HMDB0286217 RDKit 3D PC(18:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 141140 0 0 0 0 0 0 0 0999 V2000 0.2077 5.2183 6.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 5.8280 5.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7762 5.7442 4.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 6.3261 2.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 5.6380 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 4.1464 1.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 3.5998 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 2.1306 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1385 1.8024 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 0.3176 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 -0.1983 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 0.0088 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8207 -0.4455 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4858 0.2265 -1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 0.7513 -3.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 1.9959 -2.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 2.6063 -4.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4675 1.9093 -4.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3915 2.1276 -6.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 0.9812 -4.3623 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 0.4066 -5.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -0.5391 -4.7932 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1928 -0.9493 -6.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 -1.6368 -6.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -2.0062 -8.2259 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5697 -0.8478 -9.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 -3.3973 -9.0443 O 0 0 0 0 0 1 0 0 0 0 0 0 4.0665 -2.2027 -7.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 -1.6644 -8.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 -1.8733 -7.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 -1.2818 -6.4471 N 0 0 0 0 0 4 0 0 0 0 0 0 8.0171 -1.2156 -6.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9947 -2.1175 -5.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 0.0554 -6.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8116 -1.6710 -4.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2831 -2.2489 -3.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -1.6843 -2.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -3.4751 -2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6443 -4.0795 -1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9218 -5.3353 -0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3006 -5.0443 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5108 -5.4175 1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4066 -6.1455 1.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -5.7043 3.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -4.5859 3.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 -3.3814 3.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -2.2832 3.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 -1.2688 4.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -1.0753 5.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 0.1822 5.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 0.2910 4.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 -0.8385 5.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 -0.6612 6.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4465 0.5818 6.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2205 0.5893 7.3982 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 0.6229 5.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -0.5414 5.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 6.0142 7.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8938 4.3986 6.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8213 4.8111 6.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3102 5.2043 4.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8326 6.8704 5.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 4.6883 4.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5307 6.3754 4.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2607 7.3866 3.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 6.3327 2.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 5.7022 2.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 6.0747 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 3.6344 2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 4.0728 1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 4.2066 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 3.7243 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 1.8674 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 1.5122 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0185 2.0456 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 2.3307 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7743 0.0852 -0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -0.2561 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 -1.3488 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 0.1475 -1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 -0.5474 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 1.0992 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5805 -0.7086 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 -1.5178 -1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3737 -0.4829 -2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1547 1.0729 -1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6916 0.9613 -3.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -0.0729 -3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 2.7803 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 2.0518 -1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 3.6159 -3.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 2.9899 -4.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2499 0.0022 -6.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 1.3162 -5.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -0.0073 -4.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 -0.0406 -6.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 -1.5823 -5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 -0.5626 -8.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -2.0191 -9.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -2.9652 -7.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1553 -1.5055 -8.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 -0.4286 -5.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 -2.2214 -5.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4717 -0.9095 -7.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -3.0149 -5.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -1.5333 -4.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8072 -2.5546 -4.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9725 0.1266 -6.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 0.3084 -5.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 0.8249 -6.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 -3.1979 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 -4.2662 -3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 -3.3423 -0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -4.3747 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -5.8580 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -6.0026 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 -4.5011 -0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -5.1684 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 -6.6088 1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -7.1508 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 -6.4594 3.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 -4.4798 4.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5733 -3.2189 4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 -3.4498 2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 -2.3068 2.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -0.4419 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -0.8050 6.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 -1.9229 5.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 1.1032 4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 1.3066 4.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -0.8261 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 -1.7754 5.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 -0.6369 7.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2917 -1.5440 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8568 1.4971 6.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1171 0.9740 7.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 0.7308 4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0559 1.5523 5.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0346 -1.3741 4.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4806 -0.9171 6.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4028 -0.2329 4.8140 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 1 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 32102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 34110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 1 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 57141 1 0 M CHG 2 27 -1 31 1 M END