HMDB0112776 RDKit 3D PS(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) 144143 0 0 0 0 0 0 0 0999 V2000 16.6687 3.1130 -1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3008 3.6939 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4991 2.6994 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3368 1.3855 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5241 0.4301 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4095 -0.8217 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2931 -1.3883 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9825 -0.8150 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2600 -0.6051 -1.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8059 0.5208 -2.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9887 1.7799 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6035 2.3795 -1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 1.3976 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 1.9052 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5508 3.1983 0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.8356 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 4.2086 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 3.3575 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 2.5134 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 1.3692 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 0.1494 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 -0.3991 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 -0.1093 -1.8282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2537 -1.2473 -0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 -1.8577 -0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 -2.6849 0.2349 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2606 -3.7578 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 -4.3879 1.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 -5.6044 2.6909 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4106 -5.0304 4.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6701 -6.0505 2.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -6.9912 2.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 -7.4731 1.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 -8.7196 1.7527 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4379 -9.1629 0.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 -8.4145 2.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 -8.5535 2.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 -7.9669 3.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 -3.3195 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -3.1340 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1607 -2.4049 1.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 -3.8262 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4823 -3.4645 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9047 -2.0999 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 -0.9674 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 -0.0363 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9205 -0.0595 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7161 1.1244 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8389 1.1384 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4655 -0.1381 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5904 -0.0885 -1.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7004 -0.2191 -2.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9809 -0.4470 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0240 0.6178 -1.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6039 1.9832 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6997 2.9654 -1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3727 4.3357 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1257 4.2996 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8140 5.6891 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9899 6.6119 0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3691 3.9097 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9749 2.5782 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5462 2.3945 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7550 4.0161 -1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4564 4.5848 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4953 3.1027 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9923 2.4576 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3084 0.9454 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7455 1.6254 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1124 0.3453 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6278 0.9876 0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3358 -1.3474 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2570 -2.3605 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9448 -0.0180 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4127 -1.6725 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0740 -1.5004 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 0.5770 -3.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5326 1.7406 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 2.5475 -2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1413 2.5511 -2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8619 3.3414 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 1.3040 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 0.4403 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0681 1.1567 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 1.8526 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 3.0139 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1944 3.9517 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9449 3.2480 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 4.8095 1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6205 4.9918 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 4.9399 0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 2.8200 -1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 4.0859 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 3.2382 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 2.2296 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.5161 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 0.9811 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4773 -0.6233 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1711 0.3252 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.4407 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4956 -1.0466 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -2.0307 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6717 -4.4428 0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -3.2537 1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 -5.8365 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -6.7020 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -7.6347 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 -9.5289 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9269 -8.6479 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 -10.1776 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -7.4323 4.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 -3.6279 -1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9319 -4.9401 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6405 -3.6647 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1804 -4.1870 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0211 -1.9572 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -2.1078 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 -0.8643 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8972 0.7744 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7251 0.0895 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4158 -1.0195 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3098 2.0962 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3971 2.0529 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5116 -0.0627 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0651 -1.0432 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6810 0.0758 -2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6889 -0.1603 -3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4246 -1.3661 -2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9434 -0.7831 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2739 0.7341 -3.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9406 0.2984 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6330 2.2780 -1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4905 1.8655 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6190 2.5494 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8288 3.0150 -2.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4800 4.7304 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2287 5.0010 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1938 3.7136 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9966 3.9205 0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8892 6.0595 0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7085 5.5918 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9540 7.5229 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9532 6.1158 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9450 6.9305 -0.5172 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 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 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 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 31105 1 0 33106 1 0 33107 1 0 34108 1 1 35109 1 0 35110 1 0 38111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M END