HMDB0291751 RDKit 3D CDP-DG(20:1(11Z)/18:2(9Z,11E)+=O(13)) 156157 0 0 0 0 0 0 0 0999 V2000 -3.8717 -3.8001 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -4.1733 2.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 -2.9768 2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -2.7751 1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2023 -1.6865 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 -0.2898 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5307 0.2111 1.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 0.0338 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 0.7544 -0.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5957 0.2029 -2.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 -1.2083 -2.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6547 -1.5877 -3.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 -1.1363 -4.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0121 0.2380 -5.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 0.8453 -5.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 0.1306 -6.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4226 0.5980 -7.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 0.5608 -6.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 -0.8009 -5.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 -0.7853 -5.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9576 0.2687 -4.8763 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 -1.9344 -4.5209 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 -2.1570 -3.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 -1.3136 -2.6209 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5483 -1.7427 -1.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -0.9658 -0.8462 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 -1.3743 -0.0577 P 0 0 0 0 0 5 0 0 0 0 0 0 8.9850 -2.3102 -0.9624 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0809 0.0591 0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9030 -2.0886 1.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -1.0218 2.3890 P 0 0 0 0 0 5 0 0 0 0 0 0 7.7491 -0.8683 3.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0013 0.4867 1.6368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 -1.5187 2.6149 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -2.7932 2.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -3.1080 2.3756 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3703 -4.3843 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 -4.3739 2.3834 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2813 -5.5147 2.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 -5.3256 1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -6.3448 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 -7.6384 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -8.6819 0.7709 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -7.8046 1.9662 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 -6.7578 2.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 -6.9971 3.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -4.1979 3.8503 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1908 -3.4739 4.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -3.3212 3.8726 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2611 -2.1048 4.5047 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 -1.4874 -1.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 -0.3291 -1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 0.7218 -1.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -0.5379 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0309 -0.1087 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 1.2665 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 2.1944 -1.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 3.5166 -2.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7662 3.3675 -2.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 4.7705 -2.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 4.7114 -3.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8356 5.0589 -2.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8968 5.5435 -1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0608 5.8758 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0716 6.3591 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 6.4550 1.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3188 6.7451 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1621 7.1418 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6233 6.0740 3.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 6.5856 5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5741 7.7635 5.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 -2.6949 4.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 -4.2848 5.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 -4.1932 4.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 -5.0377 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 -4.3172 3.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7878 -3.1983 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 -2.1407 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1787 -3.7602 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3293 -2.6688 2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 -2.0125 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -1.7456 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4135 -0.0681 2.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5206 0.4083 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0453 0.0285 2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6538 1.3771 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 0.5401 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -1.0101 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4274 1.8523 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 0.9163 -2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 -1.7268 -2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 -1.7774 -1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5622 -2.7177 -3.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 -1.2812 -3.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -1.7618 -5.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1191 -1.5460 -5.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 0.2566 -6.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 1.0149 -4.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7419 1.9017 -5.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 0.8230 -4.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 -0.9364 -6.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 0.1367 -7.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7118 -0.0010 -8.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 1.6462 -7.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 1.2821 -5.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4762 0.9648 -6.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -1.2244 -5.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 -1.4522 -6.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 -3.2513 -3.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8237 -2.0073 -4.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3654 -0.2570 -2.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 -2.8228 -1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 -1.4539 -2.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4614 0.1656 1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 0.8119 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7967 -3.4950 2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 -2.9647 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -2.4035 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 -3.4342 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 -4.3208 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 -6.1449 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -9.5836 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 -8.5467 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -5.1064 4.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -2.7029 3.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 -3.8590 4.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -2.2567 5.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -0.1454 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 -1.6549 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2394 -0.6509 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 -0.7166 -1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 1.8110 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 1.2104 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 2.5519 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 1.8701 -2.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5727 3.9932 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 4.1479 -2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 2.7512 -2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 3.0095 -3.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 5.2086 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 5.4138 -3.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7912 4.3496 -4.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 4.9676 -3.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0288 5.6560 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9644 5.7743 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 5.9150 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7534 7.6040 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 7.4436 3.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 8.0797 2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6293 5.7285 3.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3544 5.2308 3.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 5.7830 5.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5131 6.8964 5.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8491 7.6839 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1042 7.8436 6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 8.6632 4.8220 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 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 38 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 2 0 52 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 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 65 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 49 36 1 0 45 39 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 6 84 1 0 7 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 18106 1 0 19107 1 0 19108 1 0 23109 1 0 23110 1 0 24111 1 6 25112 1 0 25113 1 0 29114 1 0 33115 1 0 35116 1 0 35117 1 0 36118 1 6 38119 1 6 40120 1 0 41121 1 0 43122 1 0 43123 1 0 47124 1 1 48125 1 0 49126 1 1 50127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 61142 1 0 62143 1 0 63144 1 0 64145 1 0 67146 1 0 67147 1 0 68148 1 0 68149 1 0 69150 1 0 69151 1 0 70152 1 0 70153 1 0 71154 1 0 71155 1 0 71156 1 0 M END