HMDB0287971 RDKit 3D PC(22:2(13Z,16Z)/20:3(5Z,11Z,14Z)-O(8,9)) 149149 0 0 0 0 0 0 0 0999 V2000 -1.4040 3.6493 2.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1892 2.9244 2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 3.8343 3.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 3.0232 4.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 3.6957 5.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 4.1538 6.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 5.3513 6.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 6.5676 6.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 7.6233 6.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3755 8.2393 5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 7.9557 3.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 7.5236 2.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 7.2051 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 8.3537 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 7.7601 -0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2842 6.7318 -0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 6.0979 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 5.0746 -2.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 4.4000 -3.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 3.3692 -4.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 2.3190 -3.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 1.5452 -2.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 1.8906 -2.7448 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4698 0.4019 -2.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 -0.4377 -1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 -0.9569 -1.9963 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7925 -1.9632 -1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -1.2909 0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -2.1893 1.4120 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1071 -3.6770 1.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 -1.9271 2.7884 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.5361 -1.7744 1.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6575 -1.6931 3.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -1.3335 3.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2342 -1.2325 5.0280 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6683 -1.0444 5.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -2.3921 5.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6006 -0.0487 5.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 -1.6214 -3.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 -1.2774 -4.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 -0.2933 -4.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 -1.8621 -5.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 -1.1630 -6.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -1.1488 -6.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0173 -2.4655 -6.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 -3.0172 -5.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9607 -2.4963 -4.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -3.4925 -3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 -3.1672 -1.8934 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 -4.1541 -2.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -5.6015 -2.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3907 -6.4217 -3.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 -7.2460 -3.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -7.5073 -2.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -7.2241 -3.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8329 -6.3807 -3.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 -5.5652 -2.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -5.9501 -1.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 -5.7737 -2.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 -4.3400 -2.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9709 -4.2518 -3.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 4.3364 2.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 2.9146 1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 4.1560 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4197 2.5973 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5298 2.0217 3.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 4.6201 2.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 4.2568 4.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 2.0723 4.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 2.6283 3.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 2.8974 5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 4.4738 4.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 3.3774 6.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 5.4955 7.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3061 6.3290 5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 6.9463 6.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4963 7.9398 7.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 9.0494 5.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 8.9430 3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 7.2962 3.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2785 8.3300 3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 6.6630 3.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 6.2993 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 6.9097 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 9.1571 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 8.7770 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 7.2247 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 8.5552 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2629 7.3021 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 5.9918 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 5.6096 -2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 6.8675 -3.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 4.3825 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 5.6654 -2.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 3.9238 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 5.2112 -4.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 2.9689 -5.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 3.9521 -4.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 2.8026 -2.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 1.5718 -3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 0.1966 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 -1.1893 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 -0.1431 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -2.8815 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 -2.1242 -1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 -1.0136 3.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 -2.7004 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7768 -2.1117 3.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -0.3779 3.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2753 -1.8835 4.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 -0.9030 6.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -0.1043 4.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 -3.3363 5.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 -2.3198 5.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 -2.3603 6.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 -0.1534 6.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 0.8348 5.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6753 0.1261 5.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 -1.9182 -6.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -2.9275 -5.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 -0.1254 -6.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 -1.7108 -7.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 -0.5492 -7.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 -0.5716 -5.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 -3.0284 -7.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 -4.0111 -5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 -1.5008 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0866 -2.4996 -4.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 -3.8404 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4788 -3.7833 -2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 -5.8335 -1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2799 -5.8339 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3095 -6.3103 -3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 -7.8187 -4.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1502 -7.0831 -1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -8.6469 -2.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0867 -7.7899 -4.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 -6.2421 -4.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 -5.6628 -1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -4.4931 -2.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -6.9862 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -5.3422 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4463 -6.4282 -3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -6.0801 -1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 -3.6609 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -4.0141 -3.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -3.2342 -3.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6687 -4.4664 -4.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -5.0164 -3.4293 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 2 0 7 8 1 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 1 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 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 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 50 48 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 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 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 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 36110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 38118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 M CHG 2 31 -1 35 1 M END