HMDB0284833 RDKit 3D PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/DiMe(11,5)) 141141 0 0 0 0 0 0 0 0999 V2000 -2.1851 5.7766 5.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 5.4765 7.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7038 4.3825 7.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2188 3.2673 7.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 2.9606 8.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 1.7640 7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 1.7071 6.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 2.9015 5.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 2.5201 5.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1138 2.4187 4.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 2.6393 3.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 2.9684 2.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 4.0999 2.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 5.1173 1.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 6.2296 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5457 6.5044 0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 7.4790 1.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5267 7.1660 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 7.3333 -0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 6.7733 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 5.9321 -2.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 4.5604 -2.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9981 3.6028 -3.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 4.0499 -4.8886 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 2.2397 -3.6685 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 1.2669 -4.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 -0.1098 -3.9692 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4137 -0.2251 -2.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 0.7141 -1.9578 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 0.7569 -0.8086 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7276 2.1784 -0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 0.2138 -1.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 -0.2643 0.4628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3105 -0.1087 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6847 -1.0198 1.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 -0.8093 2.2538 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4587 -1.0843 -4.9503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 -2.2095 -5.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2486 -2.2528 -4.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 -3.2935 -6.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0361 -4.2544 -5.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -3.6623 -5.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -4.7729 -5.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7159 -4.3297 -5.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 -3.2876 -4.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -3.2721 -2.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 -3.2577 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -4.3432 -1.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 -3.9198 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 -4.8904 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 -5.7761 0.7244 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 -6.5342 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -7.6330 1.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -7.3921 2.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 -6.3419 3.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 -4.9295 3.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 -4.4076 2.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 -6.1163 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 -6.6689 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8103 -5.0886 -0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 -4.3476 -1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5648 5.1569 4.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 6.8576 5.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2311 5.5262 5.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 6.3916 7.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 5.3862 7.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8094 4.5034 7.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9216 2.4875 8.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 3.7726 7.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6361 2.6080 9.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 0.8355 7.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 0.7793 5.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 3.2267 4.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 3.7839 6.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7385 2.2891 6.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1952 2.1071 4.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 3.2352 2.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 1.5963 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 2.2149 2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2202 4.2145 1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 5.0373 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6627 7.0002 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1658 5.6749 0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 7.0208 2.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 6.5572 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9839 8.1583 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 7.9628 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5465 6.9540 -2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 6.3133 -3.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 5.8269 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 4.1945 -1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5807 4.7345 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 1.2814 -5.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 1.3897 -5.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6536 -0.3590 -3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -0.1975 -3.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 -1.2326 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 0.9150 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -0.4646 -0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5975 0.9325 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 -0.8883 2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 -2.0992 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3328 -1.0505 3.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 0.1186 1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -3.8898 -6.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9855 -2.8882 -7.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 -4.7295 -4.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0221 -5.1237 -6.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 -2.8185 -4.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -3.2590 -6.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 -5.4548 -6.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 -5.4369 -4.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 -4.2034 -6.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 -5.2908 -5.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8221 -2.2497 -4.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 -3.1233 -4.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0222 -2.3467 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -4.0858 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6284 -2.3263 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 -3.0705 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 -4.2673 -2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6731 -5.3293 -1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -2.9165 -0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -3.7720 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 -8.5504 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 -7.9334 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 -8.3770 3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8301 -7.3564 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 -6.3700 4.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6278 -6.6005 4.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -4.2574 4.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5824 -4.6784 2.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 -5.1929 2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 -3.7768 3.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3618 -3.6949 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 -7.6907 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -6.0185 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -6.7910 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -3.7698 -1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7041 -5.0567 -2.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 -3.6179 -2.4189 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 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 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 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 52 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 50 2 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 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 1 28 96 1 0 28 97 1 0 32 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 59136 1 0 59137 1 0 59138 1 0 61139 1 0 61140 1 0 61141 1 0 M END