HMDB0116478 RDKit 3D PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -8.4104 -4.2994 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0458 -4.3644 1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1430 -5.2990 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9479 -4.9977 -0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5982 -3.6416 -1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2855 -3.6054 -1.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -2.9386 -1.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1739 -2.0909 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 -0.6875 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 -0.0845 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 -0.7322 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -0.5973 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 -1.5746 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 -2.9968 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -3.6156 -1.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 -4.6182 -1.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5796 -5.2398 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 -5.0888 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -4.4398 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5512 -3.8053 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 -2.2968 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2307 -1.7216 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.4973 3.0459 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1496 -0.3555 2.4056 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 0.1143 3.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 1.6004 3.6816 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6519 2.0086 4.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 3.3774 5.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 3.6955 6.3706 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7586 4.3124 5.9052 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3139 4.7966 7.3945 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2728 2.2547 7.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0797 1.9875 7.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3858 0.7105 8.0118 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9514 0.7659 9.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 0.5086 8.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4868 1.5644 8.6863 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1509 1.4449 8.7753 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6062 0.0276 8.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9408 2.4862 7.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5968 1.8182 10.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 2.1366 2.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 3.1286 1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 3.5118 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6841 3.7074 0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3422 4.9247 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 4.8363 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 3.9458 -1.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 4.0407 -1.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 3.2966 -3.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6755 1.8700 -3.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 1.2906 -4.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 2.1244 -5.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1501 1.7758 -6.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 1.3539 -7.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 1.1213 -7.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 -0.2896 -8.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 -1.1546 -7.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -0.8848 -6.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 -1.1477 -6.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 -0.9081 -5.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -1.1742 -5.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4388 -0.9653 -4.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5982 -5.2215 2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1813 -4.0140 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3218 -3.4729 2.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7848 -3.3352 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3844 -4.8356 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4028 -6.3455 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0399 -5.7662 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3667 -3.4177 -2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7311 -2.8354 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2306 -4.2363 -2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 -3.0367 -2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5472 -2.6075 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1933 -2.1046 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6101 -0.1601 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6941 0.9931 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -0.0152 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -1.6627 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2519 0.4705 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1883 -1.3276 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 -3.0501 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 -3.4945 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -3.2213 -2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 -5.0506 -2.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 -6.3843 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 -5.0570 0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3241 -5.5382 -2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 -4.3981 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 -4.0902 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -4.1826 1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 -1.8801 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8803 -2.1489 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -0.2608 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 -0.3544 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4934 2.0460 3.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 1.6149 5.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 1.4761 4.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6854 5.1666 8.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 2.8054 7.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 1.8661 6.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.1565 7.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.5713 9.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1498 -0.4503 8.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 0.3806 6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9757 3.3894 8.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8564 1.0033 10.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 2.9283 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 4.0247 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 5.6674 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 5.4172 -0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 5.8805 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 4.6541 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 2.8776 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 4.3298 -2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 5.1071 -1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 3.6245 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 3.3797 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 3.8742 -3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0473 1.2199 -2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8517 0.2331 -4.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3489 3.1713 -4.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 1.7247 -5.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 1.8955 -6.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1804 1.1298 -8.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 1.4578 -6.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 1.7017 -8.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 -0.6442 -8.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0633 -2.2070 -7.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 -1.6489 -5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 0.1230 -5.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2352 -2.2140 -6.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 -0.4777 -7.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -1.5932 -4.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 0.1379 -5.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -0.4536 -6.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 -2.2015 -6.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -0.4642 -3.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 -1.9321 -4.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 -0.3254 -4.9943 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 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 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 33101 1 0 33102 1 0 34103 1 6 35104 1 0 36105 1 0 36106 1 0 40107 1 0 41108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 63140 1 0 63141 1 0 M END