HMDB0008664 RDKit 3D PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) 140139 0 0 0 0 0 0 0 0999 V2000 2.9482 -0.2707 -7.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 0.5158 -6.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 -0.5150 -5.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1632 0.1077 -4.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 0.9482 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 0.1500 -6.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 0.0047 -6.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7893 0.6127 -5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5538 -0.3791 -4.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4528 -0.5290 -3.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5484 0.2848 -2.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 1.0880 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2384 1.0485 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3151 0.1303 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 0.9887 1.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 0.9552 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 0.0320 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 0.7502 -0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 0.6821 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4372 -0.1292 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0377 -1.2616 -0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 -2.1039 -1.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 -2.0584 -2.6537 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2766 -2.9479 -0.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 -3.7811 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 -4.5084 0.4424 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3394 -5.3555 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 -4.4918 -0.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8229 -5.2848 -0.4395 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6772 -6.3048 -1.5452 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4114 -5.9920 0.9908 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9860 -4.1409 -0.9113 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -3.5447 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5681 -2.5301 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6967 -3.0037 -0.8822 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9494 -4.4184 -0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4674 -2.8090 -2.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8926 -2.2722 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -3.5765 1.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4281 -3.4354 2.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 -4.1332 2.5508 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 -2.5358 3.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 -1.7155 3.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3511 -0.8793 5.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -0.0263 5.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8192 -0.8359 5.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 -0.0417 5.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4114 1.1340 5.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 0.9953 3.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1097 1.6945 2.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 2.7036 2.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 2.3558 2.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 3.1569 1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 4.4987 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 4.5112 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 5.8738 -0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 6.4089 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8149 7.7982 -0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 0.3296 -7.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -1.1261 -6.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 -0.6359 -8.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2704 1.0574 -7.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5217 1.2016 -5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 -1.1253 -6.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -1.1756 -5.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7209 0.7641 -4.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 -0.7128 -4.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2794 1.6775 -6.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 1.5878 -4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0626 -0.3406 -7.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4248 -0.6175 -7.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3748 1.4304 -4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6256 1.1676 -5.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2556 -1.0366 -5.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 -1.3002 -2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -0.4172 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 0.9573 -2.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0511 1.8221 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 1.7107 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 -0.2981 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -0.7084 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 1.6984 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 1.6680 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2356 -0.6505 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 -0.6804 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3332 1.3836 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 1.2655 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 -0.4155 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 0.5237 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 -1.9054 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 -0.8616 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -4.5124 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 -3.2673 -1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 -5.0641 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -6.0102 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 -5.9528 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7245 -2.9903 0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9288 -4.3094 0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0744 -1.6635 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9651 -2.0952 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9575 -4.6125 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2393 -5.0204 -1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9487 -4.7246 0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4420 -1.7148 -2.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2480 -3.3185 -2.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4784 -3.2360 -2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5812 -2.9320 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6148 -1.4064 0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4117 -1.9019 -1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -3.1845 4.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 -1.8717 3.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -1.0521 3.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -2.4316 4.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -1.5405 6.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 -0.1980 5.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 0.8160 4.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3998 0.4477 6.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6336 -1.6100 6.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9662 -1.4456 4.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 0.2491 6.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9094 -0.7375 5.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 1.9921 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 1.4409 5.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 0.2474 3.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3563 1.5606 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 3.7244 2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 2.8225 4.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 1.3859 2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 2.7821 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 5.2160 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5876 4.8788 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9987 4.2433 -1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 3.7836 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 6.5834 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 5.8307 -2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 6.5685 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 5.7886 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0166 7.7693 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 8.3484 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8488 8.3312 -0.7853 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 35 36 1 0 35 37 1 0 35 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 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 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 38109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 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 58140 1 0 M CHG 2 31 -1 35 1 M END