HMDB0295321 RDKit 3D DG(15:0/0:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 108107 0 0 0 0 0 0 0 0999 V2000 -13.0020 4.3587 -1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1163 3.4592 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7141 2.1717 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0730 1.0399 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7383 0.8670 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8207 0.2253 -0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7355 0.8210 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2507 2.1386 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8915 2.0128 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4437 3.2673 0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0466 1.1194 1.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9566 -0.1889 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0923 -1.1399 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0250 -2.4090 2.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8161 -3.2218 0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6530 -2.7274 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -2.9353 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3582 -3.6670 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 -2.8572 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 -3.8398 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 -3.2096 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 -1.9731 -0.4637 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 -3.9524 -0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -3.5457 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0508 -2.6694 1.2104 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3336 -1.5158 1.1322 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -2.5002 1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2143 -1.8068 0.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 -0.5002 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 0.2168 0.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 0.0671 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 0.7452 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 -0.3103 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0227 0.2732 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 0.8147 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 1.4097 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9674 0.4610 1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5016 -0.7509 1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4663 -0.7568 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8082 -0.1736 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9741 1.2914 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 2.0027 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 3.4873 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1986 4.2139 -2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8237 5.4133 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0011 4.3572 -1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2498 3.9709 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2053 3.4222 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8982 3.9630 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7323 2.1750 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5988 0.1383 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8592 0.0662 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2940 1.7158 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1228 -0.7773 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1136 0.2794 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0093 2.6941 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9371 2.7842 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2171 1.5083 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5261 3.3599 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2241 1.4985 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7473 -0.4795 0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2688 -0.7213 3.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1573 -3.0096 3.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6887 -4.0013 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9731 -3.9578 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4934 -2.1904 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5651 -2.4874 -2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1783 -4.4162 -1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4024 -4.3027 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8494 -2.4632 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1244 -2.0236 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2227 -4.3005 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8942 -4.6598 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 -2.9479 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -4.4175 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6952 -3.2570 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -1.1924 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -1.9473 2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 -3.5118 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 0.8211 -1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -0.7529 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6757 1.4970 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6686 1.1987 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1321 -1.1366 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -0.7769 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5651 -0.5041 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 1.1180 1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 1.6668 -0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2378 0.0558 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7428 2.1635 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7266 2.0139 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7826 1.0488 2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 0.1640 2.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6224 -1.4756 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9721 -1.3507 1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 -1.8250 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9972 -0.2812 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3783 -0.4597 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3875 -0.6755 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1121 1.4654 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6102 1.7798 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1591 1.6939 -1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4795 1.7583 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7331 3.7242 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0526 3.8395 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 3.9889 -2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8308 3.8399 -2.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3617 5.3055 -2.0372 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 1 0 9 11 1 0 11 12 2 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 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 1 26 77 1 0 27 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 44108 1 0 M END