HMDB0287177 RDKit 3D PC(LTE4/20:2(11Z,14Z)) 155154 0 0 0 0 0 0 0 0999 V2000 6.2440 -4.3318 5.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 -3.5341 5.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3339 -2.1118 5.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6495 -1.3523 5.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4612 0.0886 6.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7243 0.8464 5.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8896 1.9022 5.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8368 2.5164 4.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2303 2.5260 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5279 1.8951 2.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3404 1.1371 2.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6261 0.5076 1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 -0.2275 1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 -0.8816 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4751 -1.5838 1.4783 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9694 -0.6113 1.4557 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 0.9549 2.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 1.9792 1.4111 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0827 3.1957 2.1748 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 2.3420 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 1.4073 -0.1071 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 3.6297 0.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 4.0875 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 3.6924 -2.0654 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1756 4.2665 -2.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 3.7596 -1.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2291 3.1374 -1.0417 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5347 3.9839 -0.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7943 1.6703 -1.7756 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9201 2.7022 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 1.4922 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 1.1260 2.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 -0.1093 2.7267 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.0434 -1.2002 2.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1854 -0.2289 2.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -0.2816 4.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 2.3332 -2.3124 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 1.7248 -3.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 2.3065 -4.2351 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 0.2312 -3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -0.0995 -4.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -1.6029 -4.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8782 -2.1533 -5.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2193 -1.6670 -4.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3243 -2.3552 -5.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7066 -1.9117 -4.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -0.4559 -5.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4030 -0.0761 -4.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5469 -0.1527 -3.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8968 0.8528 -2.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1911 2.1919 -3.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2667 3.2435 -2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7011 4.2835 -2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0803 4.5760 -1.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2646 4.6797 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8877 3.3858 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0930 3.5686 2.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7440 2.3185 2.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1923 -2.8851 0.7391 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9528 -2.6930 -0.6131 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -4.0373 1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -4.0241 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 -3.8592 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 -4.9131 -1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2959 -4.9094 -2.4527 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -5.9682 -1.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 -5.2020 6.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 -4.7514 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4063 -3.6958 5.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8519 -3.5630 4.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 -4.0428 5.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 -2.1258 6.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -1.5960 5.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4244 -1.8389 6.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9894 -1.3628 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1815 0.0512 7.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6193 0.5051 5.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 0.4759 6.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8895 2.3776 5.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 2.1436 4.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8914 3.6364 4.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 3.0784 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 1.9545 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 1.0440 3.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9511 0.5635 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1431 -0.2770 2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 -0.8583 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 -1.8166 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 0.8229 3.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2399 1.3840 2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 1.7026 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 3.6178 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 3.0028 3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 5.2320 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 3.9956 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 4.2118 -2.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 4.2662 -3.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 5.3682 -2.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6262 1.5174 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 0.7216 0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6805 1.9399 2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 1.0698 2.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6704 -2.0342 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 -1.6264 2.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4361 -0.8546 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7638 -0.9987 2.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6956 0.7504 2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0532 -0.5739 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 0.1013 4.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 0.1713 4.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9608 -1.3714 4.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 -0.2665 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4963 -0.1467 -4.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 0.3729 -3.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 0.2451 -5.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 -2.0027 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 -1.9593 -4.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -3.2542 -4.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 -1.9559 -6.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 -0.5801 -4.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 -1.9916 -3.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3018 -3.4689 -5.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 -2.2709 -6.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4715 -2.5049 -5.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8671 -2.1065 -3.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3052 0.2317 -4.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -0.3549 -6.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0215 -0.9593 -5.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7689 0.7709 -5.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3565 -1.1188 -2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9840 0.7320 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2248 2.1445 -4.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2733 2.4210 -2.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1818 3.1274 -2.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9279 5.0328 -1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8798 3.9624 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3164 5.6276 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2946 4.9269 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6045 5.5028 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8618 3.0703 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5501 2.5681 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4823 4.4082 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1685 3.7561 2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6558 2.1634 2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 2.4248 3.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1935 1.4060 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -3.1419 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 -3.4401 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 -4.9257 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 -4.3033 2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9744 -3.3167 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8281 -5.0288 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 -2.8416 -0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 -3.9672 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -6.1191 -1.6602 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 15 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 2 0 64 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 15 88 1 1 17 89 1 0 17 90 1 0 18 91 1 6 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 34103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 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 58146 1 0 59147 1 1 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 66155 1 0 M CHG 2 29 -1 33 1 M END