HMDB0114069 RDKit 3D PE-NMe2(18:2(9Z,12Z)/16:1(9Z)) 127126 0 0 0 0 0 0 0 0999 V2000 5.4205 9.0589 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 7.5876 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5728 6.8535 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 5.3949 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 4.5159 -1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 4.8836 -2.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0585 4.1197 -3.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 2.7933 -2.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 2.0643 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 0.9272 -1.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 0.2330 -2.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -1.1347 -2.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6601 -1.9546 -4.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9814 -3.2960 -4.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -3.1289 -3.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -4.4238 -3.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -5.3298 -2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 -4.7905 -1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 -5.5954 -0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -3.5156 -1.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3638 -3.1642 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9377 -1.7251 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 -1.3895 1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 -0.0504 1.9614 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 0.3168 3.6007 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3748 -0.8887 4.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 0.7746 4.2875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 1.6337 3.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 2.4157 4.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 3.6053 4.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4132 4.4691 3.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 3.8349 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2642 5.6185 4.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2577 -1.4925 -0.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 -0.4541 -1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 0.2641 -1.4651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -0.2075 -2.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4647 -1.4949 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7764 -1.3281 -2.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6508 -0.2990 -2.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9417 -0.1154 -2.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8019 -1.3010 -2.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2668 -2.0190 -1.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0634 -1.2012 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6703 -1.0297 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4594 -1.5835 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8043 -2.4953 2.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5691 -3.0471 2.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 -3.8672 1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 -4.3442 2.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6318 -5.1744 1.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 9.4603 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4205 9.2934 1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 9.5610 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6818 7.0969 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0618 7.3779 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 7.2681 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6936 6.9721 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 5.0698 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 5.3473 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7919 3.4806 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6923 4.8875 -1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 5.9112 -2.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 4.5630 -4.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 2.1095 -3.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 2.8202 -2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8268 2.4065 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 0.4247 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 0.7225 -3.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -0.0271 -2.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.9112 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 -1.5971 -1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7734 -2.0726 -4.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -1.3716 -5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -3.9199 -4.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 -3.8629 -3.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -2.5620 -3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 -2.5761 -4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 -4.1877 -3.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 -4.9684 -4.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5678 -6.3038 -2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2133 -5.6204 -2.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -3.3297 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -3.7968 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 -1.0104 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6635 -1.5319 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -2.0373 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 1.0220 5.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 2.7569 4.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 1.8074 5.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 3.2324 5.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 4.1855 5.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 3.1549 2.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3554 4.6108 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1605 3.2935 2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7251 6.2657 4.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5161 6.2139 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2204 5.2891 4.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 0.0564 -3.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 0.6136 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6008 -1.8578 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 -2.2442 -2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 -0.9239 -3.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2548 -2.2998 -2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 0.6749 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7048 -0.4200 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5556 0.6573 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7254 0.3964 -3.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2467 -2.0313 -3.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7223 -1.0675 -3.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0274 -2.7848 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5039 -2.6566 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9860 -0.7467 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3486 -0.3992 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 -2.0136 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9414 -0.7038 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2941 -1.8400 2.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4601 -3.3205 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9749 -2.2105 3.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8918 -3.6904 3.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3613 -3.3393 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 -4.7702 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 -4.9686 3.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9614 -3.4572 3.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6616 -4.7200 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0463 -6.1879 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 -5.1631 2.1561 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 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 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 M END