HMDB0112917 RDKit 3D PS(24:1(15Z)/18:1(9Z)) 150149 0 0 0 0 0 0 0 0999 V2000 -1.8666 0.0976 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 0.8939 -2.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 2.2818 -2.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 2.3082 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 1.5465 -3.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 1.5269 -4.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 0.7144 -5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 0.6509 -6.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.2127 -7.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 -1.3038 -7.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 -1.7685 -6.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 -3.0483 -5.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 -3.5642 -4.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -4.7056 -3.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8569 -5.8974 -4.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -6.8790 -3.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6738 -8.0545 -3.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 -9.0474 -3.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -8.8425 -2.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 -7.7501 -1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5319 -6.4070 -1.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7651 -5.3242 -0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 -3.9722 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 -2.9317 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8227 -1.7335 -0.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -3.3263 0.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 -2.4492 1.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 -1.3730 2.4506 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8996 -0.4820 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.1269 2.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 0.8142 3.2566 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4176 0.7987 2.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4896 0.0618 4.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 2.3878 3.5946 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7246 3.2254 3.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 4.6801 3.6349 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9957 4.9299 4.9791 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 5.1854 2.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 5.7510 3.1299 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5457 5.0307 1.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -1.8050 3.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 -1.2941 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4706 -0.4417 2.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -1.7495 3.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -0.7713 4.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 0.3582 4.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 1.2803 4.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 2.4297 5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 3.4150 4.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3319 4.2770 3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 3.6450 2.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 3.8838 1.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0191 4.7943 2.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3177 4.1179 2.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0763 3.4802 1.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5721 4.3412 0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 5.4270 1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9407 6.1779 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9242 7.2737 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2672 7.9531 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 0.6060 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 -0.9048 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 -0.0960 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3914 0.3089 -3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 1.0083 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 2.7724 -3.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1426 2.8672 -1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 3.3723 -2.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 1.8940 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 0.5003 -3.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 2.0469 -4.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 2.5582 -4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 1.1332 -3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 1.1614 -6.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -0.3337 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 1.6986 -6.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5029 0.3912 -5.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3853 0.0826 -8.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6712 -1.9612 -8.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 -2.1040 -6.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 -1.0466 -5.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9303 -2.8830 -5.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 -3.8129 -6.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 -3.7178 -4.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9963 -2.7077 -3.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 -4.3804 -3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 -5.0715 -3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 -5.7518 -5.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -6.4336 -5.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 -6.3924 -2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4137 -7.3476 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 -7.6661 -4.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3673 -8.6267 -4.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 -9.5754 -2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8254 -9.9610 -3.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7245 -9.8566 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -8.8126 -2.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 -7.9990 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8005 -7.6882 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6214 -6.4281 -1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 -6.0929 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 -5.3798 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 -5.4988 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 -3.7457 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -3.8089 -1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 -3.0971 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8319 -2.0138 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -0.6407 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 0.4215 3.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 -1.0726 4.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 0.7275 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0707 3.1791 2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 2.9500 4.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 5.2465 3.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 4.1777 5.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 5.4324 5.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 5.6882 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 -2.3578 4.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -2.5603 3.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 -1.3472 4.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0386 -0.3101 3.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1437 0.9507 5.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9201 0.0345 6.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 0.7200 4.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 1.5775 3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 1.9573 6.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7571 2.9351 5.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 2.9412 4.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 4.1321 5.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 4.8633 3.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 5.0770 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1287 2.9466 1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 3.3207 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2825 5.5159 1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6733 5.4376 3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9515 4.8038 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0242 3.3113 3.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3833 2.7137 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8929 2.8753 2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1613 3.6773 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7353 4.7359 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1231 6.0981 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4638 4.9984 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0409 6.6016 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4003 5.5060 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5945 7.9972 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8871 6.8246 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1831 9.0539 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6631 7.5431 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3348 7.7307 -1.4168 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 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 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 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 22102 1 0 22103 1 0 23104 1 0 23105 1 0 27106 1 0 27107 1 0 28108 1 6 29109 1 0 29110 1 0 33111 1 0 35112 1 0 35113 1 0 36114 1 6 37115 1 0 37116 1 0 40117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 60150 1 0 M END