HMDB0114079 RDKit 3D PE-NMe2(18:2(9Z,12Z)/20:2(11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -14.4669 -4.4703 1.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1112 -5.7583 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9515 -5.8313 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9254 -5.0317 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9276 -3.5506 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7614 -3.0566 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8980 -2.1944 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9738 -1.5878 -1.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1065 -0.1106 -1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2727 0.7883 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0670 0.4250 -2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8428 0.9604 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9016 2.4149 -1.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7438 3.0808 -1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2893 2.6589 0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6464 1.3333 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 1.0957 1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 2.0954 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 2.2798 1.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 1.0476 1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -0.0153 2.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 1.1614 1.1587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 -0.0167 1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 -0.3378 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 0.5325 -0.8514 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 0.7196 -0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 0.0229 0.2031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 1.7254 -1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 1.2166 -2.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 -0.0012 -2.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0162 0.0865 -1.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9779 1.1258 -2.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2442 1.2167 -1.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0409 -0.0954 -1.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4052 -0.4812 -2.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6189 -0.6521 -3.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7904 -0.4704 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4971 -1.7499 -2.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 -2.4152 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2108 -1.9614 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2144 -2.9231 0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7516 -4.2890 0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9401 -4.3716 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3602 -5.8388 1.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 0.2264 2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 1.4402 2.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6849 1.7985 3.2647 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0853 1.3917 2.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 1.1531 4.7348 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7075 3.5058 3.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 4.0842 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 5.5717 2.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 6.2274 2.3372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 7.6649 2.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 5.9883 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8917 -4.6587 2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6342 -3.7866 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3453 -3.9618 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0034 -6.5229 2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0134 -6.1172 0.6747 H 0 0 0 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26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 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 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M END