HMDB0007426 RDKit 3D DG(20:2(11Z,14Z)/20:0/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 -13.1609 -3.6500 1.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8912 -2.4963 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2837 -1.2090 1.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0047 -0.0218 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3510 1.2396 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9391 2.4589 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2662 3.3350 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8335 3.1686 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7133 3.1114 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2450 2.0625 -2.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7961 0.8569 -1.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3113 0.5020 -1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5136 1.6419 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0602 1.6823 -1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1342 0.7541 -0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2946 -0.6679 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2519 -1.5660 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8637 -1.1865 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 -1.3125 -2.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3772 -1.0170 -2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 -1.1217 -4.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 -0.6297 -2.0862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 -0.3940 -2.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0267 0.0087 -1.7824 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3657 0.0719 -2.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 0.4104 -1.6356 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 -0.9872 -0.7948 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 -0.6529 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 0.5585 0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 -1.6775 1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -2.1561 1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 -1.1361 1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 -0.4274 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8227 0.5642 3.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 -0.1017 3.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2693 0.8803 3.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.9244 2.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 1.3480 1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1255 0.5431 1.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4213 0.0194 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6914 -0.8096 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9005 -1.2743 -1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 -2.0551 -1.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4529 -1.5469 -1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1365 -0.6674 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7548 0.7745 -0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0591 1.4254 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5159 1.3349 -2.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1275 -4.5209 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6734 -3.9432 2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1488 -3.3073 1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9649 -2.5022 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8459 -2.5136 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2368 -1.1509 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3268 -1.1472 2.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0646 0.0207 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9333 -0.1338 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2758 1.1626 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6929 1.2280 2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0249 2.6735 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7880 4.2463 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3792 2.3862 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3740 4.1871 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0519 4.0239 -2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1808 2.0881 -3.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9191 0.7379 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3813 -0.0033 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2074 -0.4635 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2940 0.3748 -2.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9127 2.5544 -1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8571 1.8842 -0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8098 1.7419 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7546 2.7579 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0425 0.9139 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0893 1.0475 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2613 -1.1160 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3072 -0.7909 -2.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4021 -1.5870 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4086 -2.6275 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1069 -1.8354 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 -0.1483 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9861 -2.3294 -2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4443 -0.6095 -2.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1926 -1.3750 -3.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1389 0.4098 -3.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 0.9740 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 0.8156 -3.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 -0.9584 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 0.8495 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -2.5689 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.3308 2.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 -3.0013 2.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1692 -2.5811 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9286 -1.6647 1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 -0.3589 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7686 0.1746 3.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -1.1281 4.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8755 1.2574 2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 1.2091 4.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0857 -0.7532 4.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4091 -0.7761 2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1603 0.2960 4.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 1.4295 4.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2309 2.6601 3.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 2.4942 2.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 2.2051 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0288 0.7409 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9731 1.2415 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1236 -0.2291 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4865 0.8699 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5786 -0.6289 -0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4890 -0.3361 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 -1.7431 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8261 -0.3399 -1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9599 -1.8414 -1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8790 -2.5624 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0925 -3.0094 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5499 -1.0791 -2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1437 -2.4849 -1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9383 -1.0997 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2558 -0.7888 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3982 1.3074 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 0.9810 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4661 0.9706 -2.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7797 2.4926 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1784 1.6884 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7824 0.3327 -2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6777 2.0283 -3.2064 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 2 0 28 30 1 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 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 1 25 87 1 0 25 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 M END