HMDB0299180 RDKit 3D DG(i-16:0/20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0) 113112 0 0 0 0 0 0 0 0999 V2000 -14.7330 -1.3224 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2886 -1.2127 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0436 -0.7653 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5605 0.5516 -1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0084 1.7374 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5563 1.7754 -0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6818 1.7116 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0297 1.5962 1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1527 1.5324 2.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7199 1.5668 2.2457 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2746 2.4241 1.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0770 0.1842 2.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6605 -0.5801 1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1025 -1.0694 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7201 -0.9855 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7401 -0.2411 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 -0.7588 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 0.1140 1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 -0.0372 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 0.4052 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 0.2728 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 0.3206 -2.4844 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1599 0.1000 -0.6053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 -0.0230 -1.4803 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8181 1.2424 -1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 1.3875 0.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 -1.2977 -1.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 -1.7395 -1.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9898 -1.2578 -2.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3455 -0.1928 -1.4704 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -2.0534 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 -1.6537 -3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1680 -1.7868 -1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9351 -1.0802 -0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1437 -1.4415 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 -0.7714 1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 0.6757 1.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 1.6879 1.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4150 1.9905 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2378 1.1604 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5606 0.7038 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6496 -0.1817 0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1445 -0.5397 1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7250 -1.2450 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8342 0.7768 1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2112 -2.2010 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3488 -0.4618 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8425 -1.5474 1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8582 -2.2561 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7569 -0.6591 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9319 -0.7526 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4345 -1.5231 -1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6860 0.5942 -1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2398 0.7027 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3851 2.7033 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4014 1.7905 0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1866 1.8636 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6495 1.7450 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1200 1.5691 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5495 1.4422 3.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2651 2.0282 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2952 2.5870 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3702 -0.3368 3.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9972 0.2234 2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7697 -0.7947 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7828 -1.6552 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -0.5448 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3706 -2.0459 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8489 0.8514 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 -1.8182 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 1.1469 1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6238 -0.3015 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 -1.1174 0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 0.5464 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 1.4416 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -0.3360 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6555 0.0203 -2.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.5048 -2.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 2.0890 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 0.7762 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 -2.1098 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -1.1439 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 -1.9422 -3.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7949 -3.1547 -2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2995 -0.5685 -3.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -2.2282 -3.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 -1.5291 -2.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2324 -2.8996 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 0.0008 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0547 -1.4929 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0807 -1.4499 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9515 -2.5626 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1394 -1.2667 2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -1.1733 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8489 0.9784 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7047 0.8622 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 2.7399 1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7220 1.6709 2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9344 3.0556 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4946 2.3406 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6489 0.3201 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4451 1.8012 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0538 0.1985 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2482 1.6135 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1965 -1.1696 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2965 0.2350 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1315 -1.1861 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -1.9849 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0058 -0.5280 -0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6192 -1.8093 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6900 0.6176 2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0961 1.4262 1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1732 1.2386 0.3630 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 2 0 9 10 1 0 10 11 1 0 10 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 24 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 43 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 1 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 6 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END