HMDB0113656 RDKit 3D PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) 132131 0 0 0 0 0 0 0 0999 V2000 14.3843 -2.4850 5.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5887 -1.2236 5.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0213 -1.5899 3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3745 -1.3133 2.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0803 -0.5656 2.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9971 -1.3721 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2841 -1.0045 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5766 0.3475 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0418 0.0204 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5543 0.4233 -2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4535 1.2895 -2.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6464 1.9745 -1.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3511 1.7700 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6215 0.7804 -2.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6039 1.4470 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 1.2262 -2.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 0.2452 -2.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 0.9836 -1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1683 1.9718 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1688 2.7369 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 3.7076 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 3.2734 -1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 3.4921 -2.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 2.5728 -1.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 2.1777 -2.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8557 1.5411 -1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 1.1184 -2.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 0.2053 -3.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -0.3445 -5.0603 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5364 0.8049 -6.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -1.5928 -5.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0798 -0.8739 -4.7892 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1177 -2.2275 -4.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5102 -2.7107 -4.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4159 -2.5515 -5.3438 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7771 -1.2112 -5.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 0.3860 -0.9063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 0.2513 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 1.2457 0.8259 O 0 0 0 0 0 0 0 0 0 0 0 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0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END