HMDB0289010 RDKit 3D PC(DiMe(11,5)/20:3(5Z,11Z,14Z)-O(8,9)) 148149 0 0 0 0 0 0 0 0999 V2000 8.0987 1.3636 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1116 0.7013 0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 1.1539 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 0.7532 2.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 1.2451 2.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 0.9451 4.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 0.2157 4.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5772 -0.3983 3.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 -1.8576 3.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4906 -2.5386 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 -1.9324 3.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -2.2039 5.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5665 -3.6584 5.3568 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7155 -2.8013 5.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 -3.0109 4.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9930 -3.6099 4.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2013 -3.0554 4.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3264 -1.7293 3.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9248 -0.6783 4.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8477 0.6209 4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 0.9234 3.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5249 0.2980 4.5341 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 1.8067 2.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4964 1.9524 2.7848 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9695 3.3383 2.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 4.1263 1.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8102 5.3867 1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0291 5.8042 2.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0927 6.2954 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1158 7.4302 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2886 8.2666 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1508 7.2968 -1.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 6.5507 -1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 5.5307 -2.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4936 4.6765 -2.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 3.6470 -3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 2.6861 -3.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6158 1.6722 -4.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6318 0.6258 -4.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 0.4522 -3.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2953 -0.6146 -4.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4574 -1.1195 -3.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -2.3369 -2.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3455 -2.7927 -1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0947 -4.0060 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6048 -5.1477 -1.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 -1.1730 -5.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2519 -2.3734 -6.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -0.3815 -5.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 -0.5650 -6.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1247 1.3375 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 0.0093 1.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2561 -0.8061 0.0273 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4995 0.0824 -0.9149 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7349 -1.2996 -0.6905 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3257 -2.2110 0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4091 -2.9938 -0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -4.2480 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 -5.0811 -1.9633 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.2330 -4.4555 -3.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 -5.6372 -2.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 -6.2293 -1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 2.4146 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2271 0.7601 2.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 1.4036 1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3497 1.0254 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 -0.4100 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 0.6272 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5704 2.2263 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3964 -0.3678 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 1.1801 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 0.9847 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 2.3893 2.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 1.3815 5.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 0.0261 5.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -0.3256 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 0.0868 3.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 -2.3410 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 -3.6256 3.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -2.4798 3.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 -0.8616 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -1.6660 5.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 -2.7439 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7889 -2.1442 3.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -3.8248 3.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9132 -4.6083 5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0357 -3.6291 4.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5047 -1.3713 3.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1833 -1.8498 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3975 -0.5957 5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9970 -0.8712 5.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2723 1.4328 4.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4744 0.5207 3.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 1.3126 3.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8636 3.3960 2.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 3.8591 3.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 6.7328 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 5.6627 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 8.1136 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0895 7.0907 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5181 9.0559 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 8.7620 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0544 6.6796 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1149 7.9088 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 5.9701 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 7.2940 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 4.8873 -2.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 6.1052 -3.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 5.3327 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 4.2311 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 4.1331 -4.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4178 3.0843 -3.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 3.2939 -3.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7453 2.2233 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 2.2625 -5.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 1.2681 -4.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -0.3360 -2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 -1.4159 -4.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3368 -1.9865 -1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 -3.1150 -3.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1009 -3.0567 -2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6868 -1.9674 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0775 -4.3223 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 -3.8023 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -6.1115 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 -4.9386 -2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2902 -5.2653 -2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -2.3211 -6.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 -3.2944 -5.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -2.4196 -7.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 -1.6709 -7.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 -0.0304 -7.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 -0.1294 -6.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0827 1.5026 1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 1.8647 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -2.3729 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4806 -3.2903 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0232 -4.8471 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5419 -4.0711 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 -4.1120 -3.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -3.6270 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 -5.2138 -3.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -5.0197 -2.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -6.6136 -2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 -5.8280 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2579 -5.8394 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0977 -6.8067 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8183 -6.8936 -2.6145 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 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 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 41 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 14 12 1 0 49 39 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 48128 1 0 48129 1 0 48130 1 0 50131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 60140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 62146 1 0 62147 1 0 62148 1 0 M CHG 2 55 -1 59 1 M END