HMDB0008691 RDKit 3D PC(22:5(7Z,10Z,13Z,16Z,19Z)/15:0) 135134 0 0 0 0 0 0 0 0999 V2000 -6.9429 2.3933 0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4488 2.3714 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7448 1.5559 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 0.4774 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 -0.0304 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 -1.3980 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8019 -2.3980 -0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -2.3537 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 -2.8139 -2.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6423 -3.8785 -2.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -4.7663 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -4.8334 -2.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -4.5053 -1.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 -3.9985 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 -2.6808 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4828 -1.7455 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -1.6884 -2.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 -0.4502 -2.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 -0.3516 -4.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 0.8063 -4.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 2.1682 -4.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 2.5517 -3.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 3.0531 -2.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 2.4251 -2.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 2.8425 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 2.5591 -0.2963 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7128 3.2512 -1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 2.8805 -2.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8706 3.7070 -3.2373 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1869 3.0231 -2.9625 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9596 5.2905 -2.6522 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6459 3.7173 -4.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4599 2.4536 -5.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 2.5668 -6.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0669 1.3114 -7.5737 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.6792 1.0924 -7.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5378 0.1700 -6.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8284 1.3257 -8.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 2.9059 1.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 1.9177 2.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 0.7354 1.6335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7634 2.1788 3.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 0.8543 4.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8098 0.8936 5.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 1.5715 6.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 1.1809 6.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 1.4169 5.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7206 1.0496 4.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0478 -0.3785 5.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 -0.5280 5.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 -1.9406 5.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 -2.4611 6.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 -1.5822 7.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 -2.1805 9.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -3.5875 9.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4856 1.7333 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3528 3.4046 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0716 2.0120 1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4128 2.1237 -0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0928 3.4340 0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7897 1.8864 2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5579 -0.0992 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4802 0.6550 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 -0.0448 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6065 -1.5120 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2951 -3.3839 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -1.4074 -1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8412 -3.0711 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 -2.2464 -3.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 -4.1781 -3.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 -4.7117 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 -5.8224 -2.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -5.2108 -3.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -4.6620 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 -4.7717 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -4.0755 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 -2.4564 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 -0.8151 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 -1.5462 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 -2.5173 -2.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 -0.5236 -2.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 0.3974 -2.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -1.3351 -4.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -0.3326 -4.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7062 0.7314 -5.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 0.6914 -4.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 2.3828 -4.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 2.8844 -5.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 3.9036 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 2.2372 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 1.4705 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6968 3.0231 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 4.3608 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 1.8782 -5.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6285 1.9190 -4.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 3.1227 -7.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3344 3.1711 -7.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5514 0.9269 -9.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2855 0.1848 -7.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 2.0055 -7.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 -0.7271 -7.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6126 -0.0152 -7.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 0.1792 -5.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 0.3351 -9.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 2.0673 -8.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 1.5941 -9.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 2.6997 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 2.8428 3.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8698 0.4658 3.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1835 0.0933 3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.2055 6.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 1.2112 6.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 1.4795 7.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 2.7212 6.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 1.7376 7.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.1214 6.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 0.9925 4.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 2.5363 4.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 1.3165 3.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 1.6650 5.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5913 -1.0840 4.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 -0.6438 6.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0982 0.1931 5.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 -0.2614 4.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0971 -2.0559 5.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4445 -2.5772 4.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0852 -3.4903 6.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -2.5247 6.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4299 -1.5590 7.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -0.5430 7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4594 -1.5395 9.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 -2.1767 9.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 -4.2725 8.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 -3.8341 10.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4146 -3.6168 8.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 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 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 38106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 31 -1 35 1 M END