HMDB0291336 RDKit 3D CDP-DG(18:2(9Z,11E)+=O(13)/18:2(9Z,11Z)) 148149 0 0 0 0 0 0 0 0999 V2000 7.6070 -7.0298 6.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 -6.0043 7.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 -4.6414 7.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4955 -4.0549 6.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1089 -2.6591 6.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -1.6974 6.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1302 -1.1261 6.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2678 -1.1575 5.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -1.8270 4.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 -1.9096 3.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 -1.3010 3.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -2.0937 3.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 -2.8612 2.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 -3.9880 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 -4.6253 0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 -5.7510 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 -6.3658 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 -5.2514 -2.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9253 -5.0511 -2.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -4.4665 -2.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6563 -3.4090 -2.8813 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6750 -2.0733 -2.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -1.0375 -3.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 0.2956 -2.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4434 0.4302 -1.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 1.3452 -3.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 2.2176 -4.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 3.1634 -3.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 2.6668 -2.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 3.8477 -1.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 4.7545 -1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 4.0592 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 5.0196 0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1602 4.8379 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8485 3.6470 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 3.4652 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 2.2588 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1901 1.3889 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2775 2.0210 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6481 0.6371 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 0.2935 0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4293 -1.0907 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8543 -1.4803 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -3.4594 -3.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7294 -2.3230 -4.4286 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 -2.2926 -5.3046 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2912 -2.9972 -4.5748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 -3.0390 -6.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6252 -0.7024 -5.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 -0.2569 -4.9320 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.1896 -0.8228 -5.8236 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2466 -0.9592 -3.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2348 1.4034 -4.9046 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1563 1.8497 -3.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2034 3.3803 -4.0164 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1442 3.7836 -3.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7419 5.0172 -2.6062 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1146 5.1880 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4599 6.1086 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8007 6.2955 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8049 5.5367 1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2037 5.6819 2.7595 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4137 4.6383 0.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0909 4.4544 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6421 3.6100 -1.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2824 5.1682 -2.8009 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9348 6.3301 -3.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 3.9267 -3.5498 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0848 4.3220 -4.6299 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1314 -8.0190 7.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7061 -7.0788 6.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 -6.8467 5.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1098 -6.3428 8.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 -6.0324 7.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6425 -4.7482 7.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1126 -3.9682 8.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1112 -4.7066 5.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4765 -4.1323 5.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1489 -2.8844 6.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4509 -2.3745 5.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5381 -2.0375 8.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1777 -0.7943 7.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 -0.5046 7.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 -0.6076 6.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.3033 4.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9199 -2.4416 2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -0.4910 2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1688 -0.6254 4.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9652 -2.7982 4.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 -1.3641 3.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -2.2149 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6817 -3.3668 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -4.8306 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 -3.7175 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -3.8477 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 -4.9515 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -6.5821 0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7804 -5.4056 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1624 -6.7412 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8092 -7.1248 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 -3.3270 -3.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7336 -1.8764 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0233 -2.1775 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 0.8072 -4.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 1.9554 -2.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 2.7671 -4.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 1.5487 -4.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 4.0186 -2.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 3.7480 -4.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 2.0823 -2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 2.0600 -1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1767 3.3859 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 4.4089 -2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 5.5416 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 5.2943 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 3.7522 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 3.1323 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 5.9749 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 5.5917 1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 2.8327 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 4.2727 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4716 2.0363 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9446 2.7667 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 0.6231 -0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -0.1284 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2071 0.3135 1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7898 1.0109 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7677 -1.8611 0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2948 -1.0763 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5897 -0.8184 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9828 -2.5016 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 -1.6454 1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -3.4508 -2.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -4.3943 -4.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 -2.7698 -7.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9513 -0.5556 -2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1624 1.4723 -4.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9135 1.5658 -2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4494 3.7447 -5.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2730 5.8059 -3.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6636 6.7306 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3234 7.0141 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7619 5.0606 3.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9316 6.4059 3.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 5.1839 -1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 6.3552 -3.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 3.2098 -2.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 4.3261 -4.3355 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 2 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 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 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 21 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 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 61 63 2 0 63 64 1 0 64 65 2 0 57 66 1 0 66 67 1 0 66 68 1 0 68 69 1 0 68 55 1 0 64 58 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 21101 1 6 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 34119 1 0 35120 1 0 36121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 48135 1 0 52136 1 0 54137 1 0 54138 1 0 55139 1 6 57140 1 6 59141 1 0 60142 1 0 62143 1 0 62144 1 0 66145 1 1 67146 1 0 68147 1 1 69148 1 0 M END