HMDB0287598 RDKit 3D PC(20:3(8Z,11Z,14Z)-2OH(5,6)/20:4(8Z,11Z,14Z,17Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -9.5581 6.7209 4.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2619 7.2451 4.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4118 7.6854 5.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2408 7.1490 5.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6193 6.0757 4.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 6.5744 4.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0275 6.6725 2.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8167 6.3406 1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6243 5.3813 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7815 4.4754 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6279 3.9961 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 4.4770 2.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 5.0855 2.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0614 5.3369 1.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 4.5726 2.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 4.6761 1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 4.1954 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 2.7913 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 1.7489 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 0.3823 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -0.5695 0.9945 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 0.1298 -0.7018 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 -1.1099 -0.8110 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5648 -1.8296 -2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 -3.0185 -2.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -4.0622 -3.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -3.8766 -4.0676 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -5.2198 -2.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 -6.5412 -2.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 -6.7255 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 -6.5905 -1.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 -6.7391 0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -5.6025 -1.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 -4.3683 -1.2743 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 -5.9613 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 -5.9382 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7624 -5.2611 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5533 -4.3554 -1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3234 -4.1848 -2.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -3.0794 -3.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 -1.7418 -2.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8633 -0.8848 -3.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5977 0.1295 -4.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 0.5827 -4.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 2.0460 -4.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6752 2.4835 -4.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 3.9214 -4.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 4.8443 -4.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -1.0055 -0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -2.2604 -0.7904 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4406 -2.2017 -0.6614 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9540 -1.3745 -1.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1245 -3.7362 -0.7970 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8449 -1.4587 0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3993 -2.4245 1.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7954 -1.8097 2.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7264 -1.2107 3.6640 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4320 -1.8186 3.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9956 -1.2349 5.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6355 0.1767 3.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1689 7.5062 5.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3279 5.9606 5.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1331 6.2116 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8358 6.5868 3.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5762 8.1742 3.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7873 8.5031 5.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6695 7.5293 6.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2608 5.5583 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 5.2900 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6021 6.8792 4.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 7.1271 2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8995 6.1961 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 7.3840 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4483 5.4253 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 3.8517 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 3.9001 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 2.8377 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8673 4.3013 3.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 5.4183 3.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3386 5.2049 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1731 6.4526 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8948 3.5158 2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 5.0227 3.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 4.1726 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6188 5.7572 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 4.8275 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 4.2416 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 2.5479 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 2.6193 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 1.6714 -0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 1.8956 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 -1.7753 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 -1.1971 -2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 -1.9918 -2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8448 -4.8620 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -5.3464 -3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -7.1728 -2.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 -7.1183 -3.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -6.0483 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0898 -7.7593 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 -7.6720 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -6.3351 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -5.5726 -2.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3326 -4.4878 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 -5.2972 -2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 -7.0016 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3219 -6.6035 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1428 -5.3851 0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 -4.7588 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -3.3370 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4622 -5.0675 -3.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8609 -3.0918 -4.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 -1.7176 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -1.4336 -2.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8912 -1.1997 -3.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 0.6846 -4.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 0.6487 -5.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 0.0479 -4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 2.6647 -4.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 2.1410 -2.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9529 1.8754 -3.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 2.3734 -5.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 4.0099 -2.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 4.1862 -4.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 5.1660 -4.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 5.7682 -5.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 4.3742 -5.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 -0.5416 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 -0.3636 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3578 -2.7550 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7805 -3.3354 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3221 -2.5477 3.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5875 -1.0437 2.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 -2.9230 3.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 -1.4420 2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 -1.4921 4.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -1.2638 5.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 -2.1451 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 -0.3022 5.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9012 0.2065 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 0.5534 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 0.8430 4.0209 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 1 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 53 -1 57 1 M END