HMDB0295113 RDKit 3D DG(14:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 14.5461 -3.4953 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3880 -2.9634 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3162 -1.8927 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9706 -2.3922 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9387 -1.2668 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2974 -0.1729 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 0.2430 -1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1912 -0.3258 -1.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2451 0.7928 -1.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 0.9019 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1033 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6079 -0.7985 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6403 -0.7097 -0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5142 0.1168 -1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2946 0.9921 -1.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 0.1193 -1.9511 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 1.9410 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 2.8245 -0.8004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 2.8407 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8755 3.7777 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6338 3.0711 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 2.3743 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 1.1804 1.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 3.1578 1.5627 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 2.7604 1.5175 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7955 3.1317 2.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1319 2.7471 2.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7962 3.5964 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1353 3.3971 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8449 2.2785 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 1.2154 -0.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3164 2.4397 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0764 1.9011 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8335 0.4229 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5244 -0.2169 2.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9453 -0.1603 2.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0478 -0.6463 1.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3476 -0.1169 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5315 -0.2123 -0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1612 -1.4956 -1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2168 -2.2814 -2.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3165 -2.9923 -1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1395 -4.2163 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3364 -4.2753 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6262 -3.7440 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3227 -2.6335 -1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8599 -4.3031 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1152 -3.7796 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3496 -2.4566 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2531 -1.6331 1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6524 -0.9688 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6571 -3.2166 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9347 -2.8414 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 -0.9130 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9259 -1.6413 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2852 0.3315 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8521 1.0711 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1804 -0.6138 -2.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9283 -1.2352 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 1.6249 -2.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 1.8714 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6931 -0.8895 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 0.4030 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -1.5470 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 -1.3649 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3879 0.6467 -2.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -0.6681 -2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 1.5124 -2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 -0.7124 -2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 1.3963 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 3.0998 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 3.3039 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0639 2.1486 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.3884 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 4.5606 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 3.8181 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4204 2.3654 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2912 1.6910 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 2.7130 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 4.2587 2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2374 1.7637 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 3.3984 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6533 4.6794 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5822 3.4954 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 1.8642 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1553 2.1496 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7282 2.4754 1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8473 -0.0507 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7044 0.3704 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0261 0.2310 3.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1224 -1.2882 2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1654 0.9735 2.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0863 -0.5660 3.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1328 -1.7840 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0118 -0.4031 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5181 1.0609 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4461 -0.3500 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7078 0.5709 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2396 0.3234 -1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4836 -2.0776 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4397 -1.2091 -2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7295 -1.5372 -2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7214 -2.9869 -2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9827 -3.3483 -2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0660 -2.2805 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7805 -5.0555 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1698 -4.6606 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3971 -3.7060 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9334 -3.9146 1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1057 -5.3611 0.7358 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 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 25 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 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 25 78 1 6 26 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END