HMDB0298268 RDKit 3D DG(a-25:0/0:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 142141 0 0 0 0 0 0 0 0999 V2000 7.2157 2.5478 1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5156 3.6912 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 3.0774 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 3.3619 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 4.3581 1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 5.4221 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 4.7343 -0.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 6.0442 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4064 5.5335 -1.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 5.0487 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5543 3.8629 -3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 3.1228 -4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0354 3.4911 -5.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1152 2.7110 -5.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3699 1.4971 -4.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4676 0.2728 -5.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 -0.8199 -5.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7298 -0.8850 -4.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 -1.9175 -3.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -2.8345 -2.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 -3.0508 -3.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6225 -2.8433 -2.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -3.6119 -1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 -4.3467 -0.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 -3.5871 -0.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -4.2466 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0906 -4.1573 1.4467 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8698 -4.6776 0.5196 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -2.9271 2.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 -1.7971 1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 -0.8746 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -1.0209 1.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 0.3000 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 1.5608 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 2.1695 1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 1.3216 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 2.1497 4.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.2936 5.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9235 0.1949 4.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 0.7949 4.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -0.2629 3.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6246 -1.2624 4.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 -2.3230 3.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2425 -3.0623 2.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3587 -4.0720 1.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1923 -5.2460 1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6491 -5.2776 1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4714 -4.9112 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6437 -3.6105 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6045 -2.7014 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3492 -1.5390 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3963 -0.5328 -1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6552 0.2702 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 1.2331 -1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 1.1765 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1252 2.0516 1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1525 2.8976 2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4442 1.7322 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 2.2183 2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 4.2580 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1373 4.4107 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8078 2.3150 -0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 2.7854 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 4.9160 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8903 3.9022 1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 6.1631 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 5.3377 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2283 6.9699 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 6.6975 -1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7821 5.4508 -3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 3.4321 -2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 2.0341 -4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9807 3.1123 -5.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 4.3824 -5.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 3.0553 -6.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 1.3676 -3.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4172 1.6830 -4.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 0.1941 -6.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 -1.6842 -5.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 0.0742 -3.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -1.1763 -4.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9584 -1.9145 -2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4212 -3.5612 -2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 -4.1719 -3.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 -2.5634 -4.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6043 -1.7461 -2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6602 -3.0363 -3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 -5.3223 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 -3.7993 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 -4.9408 2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 -5.4932 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 -2.5778 2.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 -3.1119 2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 0.5191 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0238 0.1068 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 1.4226 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 2.2832 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7067 3.0764 1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 2.5662 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9096 0.8547 3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 0.4736 2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 2.7762 4.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 2.8521 3.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 0.8002 5.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 1.8805 6.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 -0.5608 4.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 -0.2417 5.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7418 1.3989 4.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 1.4998 3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 -0.6694 2.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 0.2858 2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0305 -1.7862 5.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4989 -0.7818 4.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9642 -2.8744 4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8825 -1.6515 2.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 -2.3467 2.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 -3.5402 3.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -4.5565 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -3.6949 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8461 -5.9611 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9025 -5.9082 0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0723 -4.7710 2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -6.3704 2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2706 -5.7131 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5791 -5.2997 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4209 -3.6525 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2900 -2.9363 0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8637 -3.1101 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0724 -2.1722 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9147 -2.0406 -1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1275 -1.1203 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 0.2232 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6081 -0.9967 -2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2093 -0.3599 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0186 0.6613 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1928 2.0735 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9783 1.6121 -0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1957 1.7776 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4072 0.4286 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0274 2.1283 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4555 1.7566 2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5129 3.0912 1.0338 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 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 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 1 28 91 1 0 29 92 1 0 29 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 54135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M END