HMDB0296305 RDKit 3D DG(20:0/0:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) 126125 0 0 0 0 0 0 0 0999 V2000 -19.3863 0.9520 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1641 0.1093 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2772 0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1155 -0.6344 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1027 -0.6618 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3760 0.5713 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0160 0.6147 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2956 -0.5750 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3299 -1.1891 -1.5115 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.0415 -1.5275 -2.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1039 -0.6301 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0086 -0.1317 -2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7823 0.4283 -2.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8249 0.5667 -1.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5681 1.1365 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 1.2567 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5509 0.8985 0.5098 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5433 1.6472 1.2376 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 -0.5228 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5557 -0.8152 2.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0456 -0.6389 2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 -1.6444 1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 -2.8493 2.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 -1.3597 0.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -2.3809 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -1.8377 -1.4101 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2729 -2.9748 -2.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 -1.3826 -1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 -0.4029 -0.2669 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 0.8628 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 1.3166 -0.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 1.6954 0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 1.5664 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2142 2.0060 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 1.9877 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 0.6038 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6704 0.5728 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3412 -0.7535 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6094 -1.0821 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 -0.0636 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8776 -0.0591 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6567 -1.3300 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1756 -1.6797 1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1464 -0.6070 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3360 -0.5092 1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2261 0.6126 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4710 0.7583 0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1368 0.9915 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4622 1.1403 -1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2171 -0.1673 -0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1162 0.6770 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8399 0.7204 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0990 2.0171 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3592 -0.9728 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5378 0.3794 2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8767 -0.1367 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0051 1.3489 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5720 -1.6741 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6810 -0.3729 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7539 -0.8189 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4971 -1.5953 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8342 1.4880 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5539 1.5511 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6006 -0.1594 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8693 -1.3182 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1078 -2.2742 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5088 -2.2273 -3.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6796 -0.6578 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4752 -0.0624 -3.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4536 0.7977 -3.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1335 0.2614 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3587 1.4976 -2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 1.7122 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6067 1.3177 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1975 1.0223 1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 -1.1784 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7327 -0.9045 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8779 -1.8323 2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0943 -0.0690 2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 -0.8585 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 0.3755 2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 -2.9344 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 -3.1471 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 -1.1224 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2406 -2.6328 -3.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -1.0475 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 -2.2960 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 2.7397 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8523 1.2594 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1611 2.1950 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 0.5147 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 1.2700 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7581 3.0226 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1623 2.6893 -0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7657 2.3761 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 0.4132 0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -0.1847 -1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 0.8032 -2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 1.4163 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2623 -0.8458 -1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 -1.5397 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -1.0662 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0560 -2.0694 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7752 -0.2867 2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 0.9127 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5163 0.7446 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7049 0.3057 -0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9649 -2.1399 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5037 -1.3859 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7763 -2.6093 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4238 -1.8485 2.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -0.8447 3.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6725 0.3872 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0547 -0.2713 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8888 -1.4720 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4488 0.4986 2.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6151 1.5568 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1368 -0.0853 1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9875 1.6769 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6134 0.0816 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5099 1.8757 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1965 1.2116 -2.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0029 1.9937 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8044 -0.1266 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5248 -1.0432 -0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8911 -0.3321 -1.8914 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 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 1 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 1 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 6 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END