HMDB0300487 RDKit 3D DG(18:2(10E,12Z)+=O(9)/i-22:0/0:0) 127126 0 0 0 0 0 0 0 0999 V2000 16.0123 -3.6544 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5501 -3.5963 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1556 -2.1231 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7116 -1.9740 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 -0.5001 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5683 0.1368 -0.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5831 0.7266 -1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2528 0.7878 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2587 1.4151 -1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9149 1.4728 -1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 0.9271 -0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8501 2.1672 -1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2184 1.3765 -2.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 0.1142 -2.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4571 0.2567 -1.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -1.0752 -1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 -2.1676 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4211 -2.0017 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5107 -1.8702 1.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -2.8905 2.1469 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 -0.6550 2.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 -0.2524 3.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 -0.4872 3.1634 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4059 -1.7838 3.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2285 -2.7911 2.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.0625 2.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 1.1711 2.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 1.8003 3.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 1.6531 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 2.9959 1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9352 3.5482 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 4.8814 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 5.0831 1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5522 4.4275 2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 2.9515 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 2.4420 2.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9654 2.8755 1.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 2.3379 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7714 0.8422 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1076 0.3407 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2564 0.8506 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2669 0.4721 -1.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3436 -1.0092 -1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6162 -1.6193 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5875 -3.0772 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7136 -3.8925 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0835 -3.5464 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3219 -3.5813 -2.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5711 -2.3068 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5154 -2.7245 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1606 -3.8294 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4177 -4.5358 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2478 -4.1683 0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9616 -4.0168 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3546 -1.6571 -1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7692 -1.6748 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 -2.5247 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1098 -2.3811 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 -0.3422 0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1563 -0.0766 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5864 0.1197 -1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 1.1820 -2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9496 0.3582 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5533 1.8441 -2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2341 3.1212 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 2.5028 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0324 1.1412 -3.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5152 2.0263 -3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -0.3933 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -0.5704 -2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 0.9160 -2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 0.7371 -0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 -1.4034 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0025 -0.9751 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 -2.4661 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 -3.0936 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0915 -2.8737 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 -1.1221 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 -0.6568 4.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 0.8717 3.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.2527 4.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 -1.5835 4.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0431 -2.0954 4.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 -2.6137 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 0.9391 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 1.7286 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1711 3.6784 1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 2.9698 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 2.7958 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1854 3.7452 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 5.5948 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1324 5.1765 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3386 6.2132 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5755 4.7553 2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 4.7888 3.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 4.8171 1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3447 2.4437 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8642 2.5698 3.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8504 1.3480 2.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1481 2.8581 3.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9826 2.5563 2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0591 3.9932 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5316 2.7784 -0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7515 2.6850 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 0.4178 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9931 0.4386 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0809 -0.7781 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2342 0.6085 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2068 0.4881 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3405 1.9688 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3438 0.8108 -2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1608 0.9310 -1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4389 -1.5228 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3246 -1.2040 -2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4957 -1.0786 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5622 -1.4129 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3710 -3.2626 -2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6549 -3.4979 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6491 -3.9233 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4721 -4.9666 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7495 -4.3823 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6148 -4.1882 -3.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3418 -3.9532 -2.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2985 -2.5464 -3.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8919 -1.9849 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5569 -2.4677 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8164 -1.4845 -1.3098 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 2 0 10 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 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 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 22 79 1 0 22 80 1 0 23 81 1 1 24 82 1 0 24 83 1 0 25 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 49127 1 0 M END