HMDB0113200 RDKit 3D PE-NMe(18:3(6Z,9Z,12Z)/18:1(9Z)) 128127 0 0 0 0 0 0 0 0999 V2000 14.2872 3.4875 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2279 4.0991 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1502 3.6450 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7682 3.9064 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1919 3.2195 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1454 1.7618 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1512 0.9375 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7495 1.1804 0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2554 2.5077 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4297 3.2703 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8574 2.8409 -0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 2.8357 -0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6699 1.7370 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 0.4106 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -0.7277 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 -1.0252 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 -0.0631 1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 -0.3632 1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 0.1500 0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 -1.1380 2.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -1.3615 2.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 -2.1137 1.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3578 -3.5107 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0149 -3.3063 1.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 -4.8368 0.9015 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2456 -5.2706 2.2482 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 -4.7915 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 -5.9104 0.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 -7.1565 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 -8.0724 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1923 -8.1422 -1.1545 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -8.8434 -1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 -2.2575 1.4781 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -1.7575 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 -1.1868 -0.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7203 -1.8228 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3269 -0.4661 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9112 0.5413 -0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3691 0.1093 -1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9259 1.1231 -2.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2739 0.8541 -4.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7065 0.8347 -4.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5688 -0.1431 -3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6482 0.0781 -3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1266 1.4477 -2.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1316 1.7567 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0279 0.7965 -0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0273 1.0714 0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4971 2.4517 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4440 2.5937 2.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9058 3.9668 3.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3440 4.2225 2.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3955 3.3639 1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7986 2.5122 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8462 4.2075 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2276 3.9926 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1974 5.2419 0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3505 4.0219 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2395 2.5040 -0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1128 3.7434 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6020 5.0229 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7576 3.5148 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1957 3.7091 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1493 1.2815 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4168 -0.1484 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1089 0.6747 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4015 0.5331 1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6033 2.9078 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1505 4.2708 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 1.9130 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 3.6396 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8591 3.7739 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5637 1.9251 -0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 0.1255 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 0.3730 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -0.5557 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3741 -1.6515 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -1.0795 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -2.0627 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.9904 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 -0.2455 2.0718 H 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -10.9503 1.7951 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2532 4.7695 2.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9068 4.0081 4.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4334 4.2194 1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9919 3.4630 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5950 5.2528 3.0994 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 2 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 22 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 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 2 0 44 45 1 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 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 27 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END