HMDB0008882 RDKit 3D PE(14:1(9Z)/24:1(15Z)) 135134 0 0 0 0 0 0 0 0999 V2000 -12.3316 -4.9519 2.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6286 -5.5097 1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4667 -4.5146 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6547 -3.2314 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3996 -2.1904 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9609 -1.6502 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6858 -2.0071 -2.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8450 -0.7174 -2.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6474 -0.2792 -0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8561 0.9789 -0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4649 0.8805 -1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7304 2.1813 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 2.1953 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 1.2037 -0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6231 -0.0438 -1.1246 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 1.5876 -0.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 0.7689 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 1.7380 1.1322 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4026 2.6306 1.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 1.8760 3.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 2.8496 3.9479 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6107 2.8253 5.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5606 2.1829 3.8038 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 4.3922 3.3122 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2857 4.6989 2.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2545 6.1126 2.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9638 7.0413 3.2653 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 2.5493 0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 2.7892 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 2.2326 0.6831 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 3.6678 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 3.6956 -1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6904 2.5047 -2.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 1.2368 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 0.1225 -2.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -1.1719 -1.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -1.3537 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 -1.0469 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9504 0.3682 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 0.8111 -0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3705 0.3385 -1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7363 -1.0636 -1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 -1.7448 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4438 -1.0159 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6410 -1.5249 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0177 -2.9170 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5894 -3.6010 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7433 -3.0117 1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0498 -2.7891 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1575 -1.8400 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6052 -1.7161 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4612 -1.2132 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9066 0.1315 1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3555 -5.7466 3.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0996 -4.1949 2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3519 -4.4643 2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1834 -6.4605 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6755 -5.6506 0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6843 -4.9367 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3701 -4.3000 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6092 -2.8658 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6198 -3.3851 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3767 -1.8216 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5564 -0.8620 -1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8839 -2.2175 -3.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0965 -2.7873 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8809 -0.9475 -2.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3904 0.0602 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5988 -0.2032 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0448 -1.1038 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7994 1.3011 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3566 1.8222 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9083 0.1230 -0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4980 0.4848 -2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6958 2.4198 0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3749 2.9608 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9297 3.2132 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3365 2.0805 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 0.0634 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 0.1879 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 1.2371 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 2.9446 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 3.4864 2.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 1.2226 3.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5894 3.9878 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0638 4.6508 3.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2234 6.3679 1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4695 6.1672 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3089 6.6188 4.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9272 7.1658 3.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 3.4747 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 4.7428 -0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8209 3.9424 -0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3697 4.6236 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.3343 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 2.7481 -2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 1.2902 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 0.8631 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 0.4716 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5108 -0.0103 -3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 -1.6452 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 -1.8935 -2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 -0.8893 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 -2.4716 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0394 -1.3857 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 -1.7364 -1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5456 0.8890 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 0.9053 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3129 1.9478 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7308 0.7745 0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3213 0.9828 -1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0036 0.6884 -2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6903 -1.0495 -2.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 -1.7411 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4738 -2.7691 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 -1.8202 0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3558 0.0825 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4548 -0.8225 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -3.5076 -0.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7159 -2.9624 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7977 -3.8465 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8841 -4.6561 0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 -2.0109 2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9276 -3.6568 2.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5922 -3.7679 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7352 -2.3658 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8299 -0.8255 0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5791 -2.0028 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6505 -0.9490 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9507 -2.6510 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4813 -1.0246 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5746 -1.8985 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2846 0.5973 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3604 0.0492 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7538 0.8481 1.2223 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 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 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 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 17 79 1 0 17 80 1 0 18 81 1 1 19 82 1 0 19 83 1 0 23 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 M END