HMDB0294399 RDKit 3D DG(10:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S)) 95 95 0 0 0 0 0 0 0 0999 V2000 14.1822 1.3420 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3788 0.0870 -1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5782 -0.1887 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7174 1.0382 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8568 0.9621 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9153 -0.1938 1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9815 -0.1028 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0196 -1.2393 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1098 -1.4079 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2287 -0.2746 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4809 -0.3161 2.5773 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 0.8299 0.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4287 1.9604 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 1.5609 0.8878 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2670 2.7585 1.0917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 1.0685 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3386 0.8362 -0.8162 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 1.7183 -0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5318 2.9359 -0.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 1.3806 -1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 -0.0650 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8026 -0.2718 -1.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 0.1855 -0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 -0.6111 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6803 -2.0076 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9445 -2.5514 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0302 -1.8951 -1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3465 -0.4976 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3725 0.0146 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1122 -0.5896 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1052 -1.9966 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3420 -2.7884 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8485 -2.8523 -0.4806 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6765 -2.3549 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0967 -0.9054 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5664 -0.7850 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0917 0.5851 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5207 1.5791 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0953 1.9524 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1750 1.2120 -1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6427 2.2567 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3405 1.4402 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9892 -0.7639 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6476 0.3359 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2680 -0.3770 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9411 -1.0574 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1462 1.1823 -0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3696 1.9412 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 0.8667 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2203 1.8907 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5270 -1.1292 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3176 -0.1967 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4421 0.8546 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5520 -0.0897 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4461 -1.1189 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 -2.2253 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 -1.7364 2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4615 -2.3045 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5849 2.6307 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 2.5312 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 0.8692 1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 2.7391 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 0.1223 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 1.7850 -1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 1.9607 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 1.7183 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 -0.5288 -2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2542 -0.5980 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9891 0.5022 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 -1.2640 -2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 1.2627 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -0.1318 0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -2.5906 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 -2.3980 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 -3.6595 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8822 -2.5510 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5068 0.2313 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8261 -0.2813 -2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5906 1.1363 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8173 0.0579 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2332 -2.5591 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -2.0569 2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2065 -3.8620 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5195 -3.0528 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0084 -0.5136 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5167 -0.4056 -0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7958 -1.3890 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1029 -1.3423 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0751 0.9864 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2013 0.5110 -0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1447 2.5212 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6549 1.2463 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0260 3.0878 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4184 1.5891 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6774 1.8141 0.3598 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 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 34 32 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 13 59 1 0 13 60 1 0 14 61 1 1 15 62 1 0 16 63 1 0 16 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 39 95 1 0 M END