HMDB0007150 RDKit 3D DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 112111 0 0 0 0 0 0 0 0999 V2000 14.7287 -4.2163 -1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1906 -2.8186 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2940 -2.5477 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3281 -2.3208 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8990 -2.2715 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3701 -2.5479 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7193 -1.7331 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3408 -0.3568 -1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 0.3700 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8859 0.9012 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4285 0.8301 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7981 2.1653 0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 2.5628 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 1.8441 2.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 1.7028 2.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 0.6061 2.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 -0.7141 2.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 -1.6941 1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -1.5575 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4859 -0.3439 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 -0.4348 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 0.8829 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 1.8385 -0.8004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 1.1289 -1.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 2.4070 -1.4898 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7458 2.4049 -2.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 3.6617 -3.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1837 2.9696 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 2.2852 -0.1249 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4468 1.9993 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 2.3824 -1.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5716 1.2117 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 2.1616 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0979 3.2102 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9192 2.6214 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0893 1.8083 -0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 2.6690 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1516 1.7718 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9089 1.2416 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0262 -0.0424 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4421 -1.0969 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5144 -2.0335 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3046 -2.6775 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3347 -3.6556 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4265 -3.1993 0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0250 -2.7323 1.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4406 -4.5392 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2465 -4.2409 -2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8907 -4.9437 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3321 -2.5483 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0327 -2.1462 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3442 -2.5357 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6378 -2.1265 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5179 -3.2092 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3894 -1.4598 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5317 -3.6190 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3847 -2.1670 -2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8942 0.2116 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2473 -0.1896 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7922 0.5571 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2823 1.4410 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 0.1853 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9807 0.2887 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0573 2.8060 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 3.5745 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 2.6207 3.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0462 1.0061 3.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4742 2.6685 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.7371 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 -1.1817 3.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0015 -0.5988 2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7347 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -2.4765 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -0.2962 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.6268 0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 -1.1675 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4225 -0.7506 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 3.0380 -1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 2.2456 -3.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 1.5872 -3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7118 3.5354 -4.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 4.0545 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6271 3.1491 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1336 0.7178 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2098 0.4674 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2886 1.5484 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9295 2.6123 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6645 3.9282 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2913 3.8208 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3043 1.9776 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3352 3.4547 -2.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6929 1.4554 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7119 0.9516 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4883 3.0465 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3748 3.5132 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8608 2.4382 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7881 1.0458 1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3953 1.9828 -1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6209 -0.3112 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8040 -0.8044 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8062 -1.7456 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1732 -1.3791 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0287 -2.7553 1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6060 -3.1552 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8371 -1.8649 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7962 -4.1775 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7920 -4.4926 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9612 -2.3405 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1908 -4.0234 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7641 -3.2149 2.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0290 -3.0873 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1822 -1.6547 2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 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 17 71 1 0 18 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 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 46112 1 0 M END