HMDB0114120 RDKit 3D PE-NMe2(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 133132 0 0 0 0 0 0 0 0999 V2000 3.5678 -2.2374 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 -2.4584 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9616 -2.6744 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9212 -1.8701 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9569 -0.6875 1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 -0.0333 2.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 0.2271 3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -0.1907 4.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 -0.9513 5.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 -1.3489 6.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1912 -1.1786 6.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4452 -2.4622 5.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 -2.8297 4.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 -2.1044 3.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 -1.8438 3.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 -0.6998 3.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 0.5825 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 1.3786 4.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0947 2.5597 4.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0406 3.2013 3.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 3.4674 2.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4611 4.0973 1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 5.3259 1.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 3.3421 0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 3.8246 -1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2725 3.4171 -1.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 2.1175 -2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 1.0626 -2.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 1.2422 -3.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 -0.3130 -2.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 -1.0738 -1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -0.3059 -0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 -1.0550 0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2915 -0.6332 1.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1015 0.3137 2.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 1.3939 1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0352 1.3890 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7502 1.2743 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0717 1.1267 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5768 2.2489 -2.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1616 2.1135 -3.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4912 1.0022 -4.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1717 -0.4089 -3.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7555 -0.8532 -4.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7362 -2.3790 -3.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3409 -2.9225 -4.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 3.9749 -1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9228 2.8263 -1.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 3.0359 -2.2383 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3808 4.1652 -3.2583 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 3.5134 -1.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 1.5985 -2.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 1.5786 -4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 0.2873 -4.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 0.0528 -4.8193 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 0.9901 -5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8859 -1.3024 -5.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7089 -1.6196 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 -1.7771 -1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 -3.1775 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -1.8407 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 -3.5070 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1534 -3.5727 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -2.1911 0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4061 0.1766 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9165 -0.7247 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 0.3741 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 0.8125 3.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4564 0.7612 4.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -0.7864 3.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.3046 6.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 -1.9586 7.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 -0.6160 6.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9646 -0.6567 5.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5072 -3.1683 6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 -3.8213 5.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0754 -1.2727 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6335 -2.8749 2.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3393 -2.7413 3.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -0.6240 3.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 1.0073 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 0.4046 3.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 0.9269 5.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 3.0950 5.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 2.6945 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 4.2389 3.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 4.1887 3.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 2.5469 2.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 4.9902 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 3.9072 -2.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 3.9301 -1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 -0.2678 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 -0.8730 -3.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 -1.1856 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9581 -2.0735 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0316 0.6719 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 -0.3011 -1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6998 -2.1782 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 -1.1203 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -1.3352 2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 0.3674 3.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 1.4161 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3359 2.3544 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5887 1.4955 2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8568 1.2752 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4045 0.1669 -1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9964 1.2101 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4266 3.2814 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 3.1271 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6557 1.0489 -4.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1729 1.2337 -5.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7411 -0.8938 -3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6972 -0.9674 -4.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0101 -0.4358 -3.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -0.7411 -5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3547 -2.8842 -4.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1237 -2.6781 -2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8399 -2.9539 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3439 -3.9691 -4.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7619 -2.2485 -4.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6869 4.8355 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 4.2524 -2.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 3.9072 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 2.4747 -4.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 1.6739 -4.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 -0.5484 -4.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 0.2656 -6.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 1.8319 -4.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 0.4388 -5.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7655 1.3416 -6.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0647 -1.9882 -4.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 -1.5978 -4.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0867 -1.4326 -6.2148 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 51123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 56128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 57133 1 0 M END