HMDB0113222 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/14:1(9Z)) 116115 0 0 0 0 0 0 0 0999 V2000 0.6052 4.6205 -4.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 3.6808 -4.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 2.2925 -4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 1.3747 -3.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 1.4067 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5907 2.6151 -1.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 3.3815 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 3.0723 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 4.2074 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4743 4.8882 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 4.5361 2.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 4.2010 3.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 3.7764 4.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 4.6050 5.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5002 4.6424 5.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 3.4672 5.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 2.1234 5.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 1.7644 3.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 2.4865 2.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 0.5044 3.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 0.0024 2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3979 -1.4535 2.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5361 -2.1798 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 -1.6629 -0.2448 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -2.7343 -1.5018 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0644 -4.1539 -1.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 -2.5827 -1.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -2.3819 -2.9594 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 -3.5341 -3.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0613 -3.4875 -5.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -2.4627 -5.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 -2.5579 -7.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -1.2900 2.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -1.5899 4.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -2.0408 4.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 -1.5048 4.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 -2.6311 5.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -3.8956 5.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 -4.6541 4.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2933 -5.2716 3.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1819 -5.9619 2.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -5.0475 1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 -5.8146 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -5.7187 -1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7787 -4.7950 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7079 -3.8066 -2.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 -2.9528 -2.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 -2.1543 -0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 4.4972 -5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 5.6702 -4.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2194 4.3317 -4.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 4.0496 -3.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 3.8904 -5.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 1.9636 -5.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 0.3615 -4.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 0.6387 -2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2269 0.9143 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 2.9007 -2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7871 4.2633 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 2.1716 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 2.7207 0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 4.4531 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 5.7071 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7682 3.8051 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 5.5506 2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 5.0095 3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 3.3310 2.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8475 3.7825 4.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5836 2.6920 4.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 4.3917 6.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 5.6816 5.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 4.9233 4.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 5.5110 5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 3.7010 5.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 3.4163 6.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1668 1.5957 5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 1.4837 5.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -0.0678 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 0.4455 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -1.8854 2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 -3.1977 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 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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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 27 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 32 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 48116 1 0 M END