HMDB0284760 RDKit 3D PE(DiMe(11,5)/20:4(6E,8Z,11Z,14Z)-OH(5S)) 139139 0 0 0 0 0 0 0 0999 V2000 13.4963 3.2479 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1766 3.8809 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 3.1354 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 1.8314 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7157 0.7477 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9678 -0.4510 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9487 -1.5955 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6426 -1.9232 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6130 -2.3778 -2.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3435 -1.8230 -3.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0177 -0.6628 -3.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2529 0.5460 -3.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0229 0.8528 -3.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0675 0.0196 -3.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8082 0.4529 -2.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8053 -0.4388 -2.3035 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9091 -0.8219 -3.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1253 0.2993 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 1.4868 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 1.1558 -2.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 0.2756 -1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 -0.9304 -1.4945 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 0.7265 -0.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -0.1647 0.1133 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9272 -0.2279 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4485 -1.1997 0.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 -2.5385 0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3394 -2.8405 -0.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -3.5974 1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 -3.4113 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 -3.4568 0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3061 -3.3740 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5502 -2.0829 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9611 -2.0400 2.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1545 -0.7075 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 0.4453 2.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1805 0.2870 1.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2453 1.3898 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4330 1.0071 -0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5962 1.5644 -0.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4486 1.0430 -1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8646 1.4726 -1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0190 2.2842 -2.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1352 3.5027 -2.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4595 4.4029 -1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8636 4.9050 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8017 0.0419 -1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3455 -0.8397 -3.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5106 0.0337 -1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4192 -0.8712 -1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7289 0.1702 1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 0.1307 1.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3232 0.4921 3.5632 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5912 1.8025 3.8728 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 0.8244 3.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 -0.6529 4.6457 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1188 -1.9061 4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 -2.9368 5.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -4.2861 4.7011 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6535 2.9291 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2796 4.0564 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7706 2.4668 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3242 4.8813 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7191 4.1088 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5685 3.0124 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2989 3.8053 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9657 1.3905 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0815 1.9681 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3635 0.5932 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4286 1.0535 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4055 -0.3199 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3481 -2.4113 0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2675 -2.8409 -0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2599 -1.0950 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0153 -3.2759 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -2.3221 -3.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5027 -1.0278 -4.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9639 -0.4011 -3.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8570 1.3740 -4.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 1.8641 -4.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2526 -0.9476 -2.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 1.4156 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3145 -1.3424 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1361 -1.6729 -3.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 -0.3886 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9553 0.6783 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 2.2109 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 1.9953 -0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 2.1394 -2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 0.7726 -3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.1431 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 0.7178 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 -0.6235 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -4.6138 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -3.5650 2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0544 -2.4097 2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -4.1583 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 -4.3412 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7275 -2.5452 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 -4.2027 2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9704 -3.4952 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3966 -1.2637 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8863 -1.8680 3.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9444 -2.8155 3.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7436 -2.2610 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1883 -0.6958 3.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4765 -0.5751 4.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0862 0.5618 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2792 1.3651 3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1717 0.2244 1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0762 -0.6968 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4625 2.3206 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 1.5160 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1673 2.1427 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5521 0.6048 -1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6906 1.6696 -3.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0837 2.5437 -2.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0817 3.1678 -2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2628 4.0660 -3.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7671 5.2650 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2145 3.9254 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8656 6.0045 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5433 4.4653 -0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2442 4.6914 -2.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8614 -1.8550 -2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4188 -1.0633 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3046 -0.4173 -4.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4475 -0.3256 -1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6722 -1.2879 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3003 -1.7579 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.6053 2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 1.1401 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 0.1143 4.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 -2.1086 3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 -2.0170 4.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -2.7553 6.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4461 -2.8611 5.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -4.8610 4.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2968 -4.2868 3.7082 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 2 0 15 16 1 0 16 17 1 0 16 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 49 39 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 16 83 1 1 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 1 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 48125 1 0 48126 1 0 48127 1 0 50128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 55133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 59138 1 0 59139 1 0 M END