HMDB0113170 RDKit 3D PE-NMe(18:2(9Z,12Z)/18:1(11Z)) 130129 0 0 0 0 0 0 0 0999 V2000 5.3456 3.8891 -2.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5411 3.0206 -3.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0123 1.7688 -3.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 0.8849 -4.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 -0.3951 -4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9801 -0.0881 -6.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 -0.4371 -6.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 -1.1241 -5.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 -0.5010 -4.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 0.6888 -4.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 1.7854 -5.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 2.2093 -6.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 2.6415 -6.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 3.8176 -5.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 4.1513 -4.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7615 5.3441 -3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 5.0864 -2.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 3.9113 -1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 3.3583 -1.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8676 3.4224 -0.8569 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 2.3210 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 2.0108 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 3.2320 1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 3.6906 2.4045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 5.0685 3.1964 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6397 4.7314 4.5289 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2162 5.8110 2.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7643 6.1862 3.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 5.5493 3.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 6.5657 4.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 5.9619 4.5593 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 6.9579 4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 0.9017 1.5587 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -0.3239 1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -0.3062 0.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -1.5593 1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7993 -2.2272 1.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2501 -2.6372 0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 -3.3541 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7847 -3.8023 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0424 -4.5510 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0808 -5.9282 0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 -6.1474 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -7.5957 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0532 -7.9853 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4802 -8.4096 3.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 -8.5475 4.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 -7.6748 5.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 -7.8281 7.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 -7.0118 8.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3327 -7.4188 8.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7799 -6.5531 9.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 3.1945 -2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 4.5861 -3.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5512 4.4645 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 3.5922 -3.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0429 2.7849 -2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3942 1.2391 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 2.0893 -4.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6742 0.5973 -3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 1.3633 -4.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 -0.9947 -4.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 -0.9017 -5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5105 0.4469 -6.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 -0.1851 -7.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 -2.1261 -5.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4284 -1.5561 -4.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0269 -1.1622 -4.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 0.9243 -4.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 1.6280 -6.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 2.7337 -5.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0722 3.0933 -7.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 1.3976 -7.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3346 2.9648 -6.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1461 1.8047 -5.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 3.5351 -4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 4.7108 -5.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 3.2708 -4.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 4.4810 -5.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 5.4600 -3.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5187 6.2672 -4.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 5.9576 -1.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 5.0365 -2.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 1.3858 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 2.4608 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.7840 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3811 3.0720 1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4422 4.0514 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9065 5.1325 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 4.7240 3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 5.1483 4.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 7.0449 3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 7.3423 4.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 5.1136 4.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1857 7.9073 5.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2571 7.0837 3.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4753 6.6552 5.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8714 -2.2995 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -1.4466 3.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -1.5996 2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8835 -3.1388 2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -1.8071 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -3.3194 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 -4.1033 1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6844 -2.5514 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 -4.2869 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 -2.8390 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 -3.8653 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -4.5290 -1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -6.5911 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -6.2137 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 -6.1397 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 -5.3970 2.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2005 -8.2005 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 -7.7177 3.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7773 -7.9429 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5513 -8.6906 3.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 -9.6084 5.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 -8.4777 4.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4293 -6.6376 5.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2826 -8.1178 6.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 -8.8868 7.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3852 -7.4707 6.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9495 -5.9247 7.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -7.0836 9.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3638 -8.4750 8.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0167 -7.2616 7.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -6.3315 10.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 -7.1599 10.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3087 -5.6643 9.4744 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 1 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 1 0 44 45 1 0 45 46 2 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 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 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 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END