HMDB0285458 RDKit 3D PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 131130 0 0 0 0 0 0 0 0999 V2000 16.0221 0.8504 -2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5955 2.3232 -2.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0241 3.0624 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2500 3.7073 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7756 3.7632 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1910 3.1449 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4168 2.0931 0.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0082 1.3564 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5132 -0.0766 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1653 -0.8503 -1.1677 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0831 -0.6933 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -0.4743 1.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5340 -1.1237 3.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3794 -0.9356 3.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3268 -0.0630 3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1504 -0.9211 2.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5678 -1.1388 1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0131 -0.5475 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1469 0.3384 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 0.7520 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 0.4703 1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8359 -0.2268 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 0.5475 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 1.6937 -0.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6887 0.0892 -0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2092 0.7892 -1.1782 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5247 1.0712 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.1403 -0.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3477 -0.0650 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 -1.0364 1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0633 -0.9481 2.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 -2.0653 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2958 -2.0480 2.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1273 -0.8259 2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5205 -0.5305 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3072 -1.5909 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5885 -2.0030 0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6616 -0.9504 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0799 -0.3427 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0019 0.9530 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5083 1.9586 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3996 3.0776 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6650 2.8167 1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6604 2.0377 0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0583 2.7456 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0857 1.8837 -1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 0.1111 -2.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 -1.1634 -2.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 -1.8602 -3.8324 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7761 -1.8195 -4.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4612 -0.9789 -5.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -3.4423 -3.8825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -4.3473 -3.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 -5.7598 -3.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 -6.6154 -2.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9923 0.5667 -0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0251 0.7050 -2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3254 0.1880 -2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5460 2.3112 -2.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1200 2.7026 -3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1248 3.0638 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7520 4.2122 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5415 4.8838 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4806 3.3643 -1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4533 3.6442 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0776 1.7806 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4503 1.7130 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 1.3193 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -0.0115 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9553 -0.9629 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7437 -1.3593 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2636 0.1949 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2958 -1.7827 3.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1485 -1.4401 4.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0815 0.6627 3.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6227 0.5873 2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7521 -1.4085 3.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6755 -1.8530 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0394 -0.0996 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3336 -1.4210 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5585 0.7089 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 1.4458 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7727 1.5230 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 0.0839 2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -1.2635 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -0.3860 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 1.7796 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1326 1.6743 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2658 1.6274 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 0.8112 0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 -1.9049 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -0.9458 3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5679 0.0095 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5259 -3.0641 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 -1.9535 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9069 -2.9089 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1499 -2.3179 3.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5406 0.0741 2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0089 -0.8482 2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5272 -0.4881 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8922 0.4901 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4978 -1.2622 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 -2.4908 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9878 -2.8357 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5043 -2.5010 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5781 -1.5475 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4994 -0.2744 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4802 -1.0036 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3521 1.2612 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6553 2.4780 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9417 1.5384 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6630 3.6187 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7515 3.8208 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5456 2.4385 2.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1481 3.8359 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6461 2.0047 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3596 1.0195 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1616 2.7800 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4541 3.7473 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0166 2.4716 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7355 1.5799 -2.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3664 1.0272 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4109 0.0778 -3.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 0.6808 -3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 -0.3015 -5.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 -4.0643 -2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 -4.2822 -4.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0243 -6.1245 -4.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3092 -5.9565 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 -6.0426 -2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -7.4536 -2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 26 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 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 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 6 27 88 1 0 27 89 1 0 29 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 M END