HMDB0288537 RDKit 3D PC(20:4(6E,8Z,11Z,14Z)+=O(5)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -6.5922 2.6449 2.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3169 2.7337 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6186 2.0886 5.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5603 2.7129 6.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2021 4.0984 6.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 4.5227 7.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 3.8038 7.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 2.3545 7.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 1.7730 9.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 1.0460 9.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 0.7115 9.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8728 -0.7795 8.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7473 -1.4161 7.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 -0.7002 6.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 -1.1344 5.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 -1.7141 4.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 -1.9963 3.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5864 -3.4556 3.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -4.0063 2.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3787 -3.2319 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -3.3676 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 -2.5206 -0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1353 -1.8767 -0.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 -2.3522 -2.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 -1.5074 -3.0738 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4628 -0.4481 -3.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 0.3200 -4.4932 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1572 1.4074 -5.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 1.7709 -5.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 2.1199 -6.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0807 1.3554 -6.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 1.9431 -6.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4155 1.1400 -6.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 0.1050 -7.5337 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4763 1.4247 -5.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9388 2.2218 -5.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 3.3840 -4.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 3.9200 -3.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7028 3.3585 -3.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0406 2.8995 -1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3421 2.9057 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 3.3633 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 2.2340 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 1.8028 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 2.4012 -1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 2.9196 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8508 1.8043 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 2.3392 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 3.3692 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -2.3715 -4.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 -3.0283 -4.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 -3.9695 -6.1545 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2637 -3.1143 -7.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -5.4318 -6.1709 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.2076 -4.2076 -6.1152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -5.3934 -5.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 -5.6865 -5.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 -4.7572 -4.7499 N 0 0 0 0 0 4 0 0 0 0 0 0 2.4152 -3.4733 -5.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 -5.2142 -4.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 -4.5952 -3.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4259 2.2463 3.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4393 1.9797 2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8629 3.6543 2.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0282 3.7795 3.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 2.1361 3.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9152 1.0186 5.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8651 2.0659 7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 4.6804 5.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1551 4.5633 6.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 5.6615 7.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 4.3697 8.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6554 1.8580 7.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 2.1722 7.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 1.9637 9.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4153 0.6404 10.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.9922 9.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 1.2489 8.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -1.3929 9.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 -2.5231 7.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 -0.9383 5.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 0.3739 6.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 -0.9704 6.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 -2.0189 4.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -1.6452 4.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2953 -1.4699 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -4.1400 4.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -5.1117 2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 -3.6953 0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 -2.1979 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 -4.4112 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 -2.8701 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -1.0356 -2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.2565 -2.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 -0.9532 -4.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 2.1684 -7.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 3.1250 -5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 0.2745 -6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 1.3415 -4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8913 2.0308 -7.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 2.9719 -6.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2952 0.5988 -6.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 1.8051 -4.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 3.9781 -4.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 4.8583 -3.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 2.6476 -3.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 4.2694 -3.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1039 2.4551 -1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8957 2.4734 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 4.0968 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5613 3.9153 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 1.7195 1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 0.9286 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 3.1707 -2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 1.5582 -2.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 3.3444 -2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 3.7247 -0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 0.9521 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 1.4038 0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 1.5240 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 2.7656 -1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 3.5102 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 4.3450 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 2.9563 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -3.0789 -4.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7905 -1.7052 -5.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 -5.4388 -4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 -6.2132 -6.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7275 -6.6761 -4.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -5.8972 -6.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 -3.5429 -6.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -2.6930 -4.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -3.1069 -5.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0188 -5.6709 -5.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 -5.9294 -3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 -4.3129 -4.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8517 -3.5151 -3.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 -5.1228 -3.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 -4.8629 -2.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 1 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 59131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 60136 1 0 61137 1 0 61138 1 0 61139 1 0 M CHG 2 54 -1 58 1 M END