HMDB0112387 RDKit 3D PS(18:1(11Z)/15:0) 125124 0 0 0 0 0 0 0 0999 V2000 12.2664 1.9560 2.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9509 2.9814 1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3962 2.7658 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7122 1.3736 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3209 0.9272 -1.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8494 0.9093 -2.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2029 2.2080 -2.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1635 2.6346 -1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.0273 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1784 0.6283 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7221 -0.3558 -1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3102 0.0223 -1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 0.0342 -0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 0.3869 -1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0685 0.4378 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9305 -0.8104 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4048 -1.9975 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 -1.7347 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -1.4576 -1.7509 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 -1.7866 0.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4095 -1.5399 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 -1.6184 0.8653 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2283 -2.8968 1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -3.9808 0.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6284 -5.4064 1.8050 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3066 -5.2606 3.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -6.6074 0.9521 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0045 -5.8296 1.9902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -6.9444 1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6562 -7.3572 1.3503 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8188 -7.6629 2.7769 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -6.2217 0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -5.6457 1.8348 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -5.7722 -0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -1.4193 0.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 -0.3560 1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7731 0.4744 1.7625 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8908 -0.1220 0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4198 -1.3550 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8772 -1.3499 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8433 -1.2796 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9155 -0.2125 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1505 1.2023 1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4361 1.6354 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7064 1.2582 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8450 1.7699 -1.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7697 3.1954 -1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2631 4.1823 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2545 5.6026 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7205 6.5297 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6604 7.9618 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2406 1.7573 1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2081 2.3675 3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8849 1.0456 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0305 2.7693 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6991 4.0206 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8643 3.5439 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 2.8937 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8318 1.2579 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3105 0.6287 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9010 1.4776 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6689 -0.1376 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8303 0.5299 -3.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3901 0.1565 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7075 2.9794 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9549 3.7502 -1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 2.3114 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 2.6442 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4268 0.5421 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1153 0.2606 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3646 -0.5371 -2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 -1.3364 -0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 1.0005 -2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 -0.7463 -2.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2835 -0.9637 -0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5751 0.8508 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 -0.4083 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 1.3341 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 1.2557 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 0.7017 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 -0.6022 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8606 -1.1177 1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 -2.8427 0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0307 -2.3305 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -2.2782 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 -0.4850 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 -0.7653 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 -2.8086 2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -3.0967 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 -6.2480 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 -7.7665 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 -6.7426 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -8.2607 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1812 -8.4913 2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 -6.8454 3.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -6.4771 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8808 0.7133 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3837 0.2901 1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7996 -1.5827 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 -2.2736 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0792 -0.6764 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0385 -2.3980 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8550 -1.6486 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5713 -2.2352 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8581 -0.5143 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1423 -0.3132 2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0777 1.7483 2.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2652 1.6144 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2998 1.1420 1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6667 2.6988 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7726 0.1297 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7723 1.5971 -0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 1.4252 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1414 1.2098 -2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7471 3.5808 -2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0778 3.2820 -2.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 4.0132 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9272 4.3513 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3130 5.8736 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6441 5.5814 -2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6646 6.2066 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2725 6.3956 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6171 8.2102 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3706 8.0419 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9946 8.6222 -0.0678 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 1 0 7 8 2 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 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 30 32 1 0 32 33 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 29 91 1 0 29 92 1 0 30 93 1 6 31 94 1 0 31 95 1 0 34 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 M END