HMDB0300416 RDKit 3D DG(i-22:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 131130 0 0 0 0 0 0 0 0999 V2000 15.5560 -0.1683 3.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3636 0.4000 2.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4788 -0.6958 1.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2193 -1.5550 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2494 -2.6232 0.4171 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8365 -3.4798 -0.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9650 -2.0442 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7214 -1.2677 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7950 -0.9312 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2707 0.4080 -2.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8865 1.4909 -1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8474 1.7893 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9600 2.8025 -1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6897 2.7489 -1.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 1.5950 -1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2141 0.9655 -2.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9066 0.9121 -2.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9642 1.4653 -1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 0.4103 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7368 -0.7328 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -1.6970 0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -1.5304 1.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 -2.7357 -0.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2313 -3.6640 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9373 -2.8941 0.3913 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8890 -3.7040 0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6414 -2.1010 -0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 -1.1983 -0.7087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 -0.1654 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -0.0461 0.9845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5194 0.8179 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 0.1985 1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7411 1.2641 1.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 1.8614 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 0.9343 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2141 0.3544 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8687 -0.5128 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1681 -1.1110 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1068 -0.0035 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4301 -0.5803 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3648 0.5620 0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6373 1.5210 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5064 2.6701 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9131 2.4551 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7594 1.7421 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1828 1.6690 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7016 1.0294 0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5293 -0.4160 0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1558 -0.9245 1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3190 -2.4522 1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6535 -0.3942 2.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0259 0.6399 3.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2701 -0.9969 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2855 -0.5598 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7899 1.0622 3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6567 1.0502 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5312 -0.2867 1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2150 -1.3638 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0462 -2.0468 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7387 -1.0104 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0686 -3.2676 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8209 -3.2683 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0827 -2.2571 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6836 -0.9674 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3915 -1.2504 -2.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6632 -1.6787 -1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1088 0.5197 -2.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4213 2.4413 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3893 2.3961 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3669 0.9592 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4553 3.7466 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1291 3.5738 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1383 1.8885 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5032 0.8280 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8922 0.5321 -2.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 0.4176 -3.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3588 2.0467 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 2.2006 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 0.0058 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3366 0.9404 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 -1.2171 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.3202 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 -4.2292 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 -4.3287 -0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 -2.1962 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 -3.2730 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 -2.8161 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -1.5494 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 1.7179 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 1.1131 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.1354 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 -0.6167 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 0.7023 1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 2.0062 2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9489 2.7122 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 2.3416 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2565 1.5080 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 0.1119 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9014 1.1965 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9906 -0.1833 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1278 0.1112 -2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 -1.3603 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5725 -1.7125 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8934 -1.7654 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6630 0.5347 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2183 0.6534 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8998 -1.1151 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2961 -1.2669 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8693 1.0272 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2590 0.0512 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9515 0.9294 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6382 1.9537 -0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0162 3.2285 0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5161 3.4421 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3761 3.4866 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9945 2.0331 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3737 0.7835 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7093 2.3876 -1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7715 1.2773 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5405 2.7807 -0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3474 1.5542 1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8337 1.2736 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9652 -1.0466 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1644 -0.6301 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4302 -0.6916 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0203 -2.7534 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7452 -2.5475 2.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3067 -2.8858 1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9877 0.6137 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5935 -0.5759 2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1960 -1.0476 3.3524 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 5 7 1 0 7 8 2 0 8 9 1 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 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 1 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 27 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END