HMDB0298278 RDKit 3D DG(a-25:0/18:3(10,12,15)-OH(9)/0:0) 136135 0 0 0 0 0 0 0 0999 V2000 19.6221 0.6730 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7949 -0.0139 1.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6186 -0.7567 1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4919 -2.0482 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5189 -3.0168 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3473 -2.7839 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7801 -1.7388 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5028 -1.8675 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9554 -0.7957 -1.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7050 -0.7946 -2.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8787 -1.8092 -2.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9579 0.5186 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6087 0.7465 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8826 2.0446 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6172 2.0604 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8102 3.3217 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 3.5567 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4409 2.4878 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 2.3636 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9192 3.1650 -1.0799 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 1.4097 0.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0003 1.3199 -0.6490 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9873 0.1171 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0649 0.2796 -2.4304 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 1.6423 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 0.8651 1.1908 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -0.4355 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -1.0392 0.0755 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -1.1383 2.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -0.8783 3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 -1.0651 2.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 -0.2836 1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -0.0485 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 0.7509 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3972 -0.0191 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2172 -1.3002 -1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4152 -2.1356 -1.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 -2.7515 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7162 -1.9487 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -0.9264 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9117 -1.5703 -0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9653 -0.5929 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5805 0.1431 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6178 1.1125 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7556 0.5271 -1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5614 -0.5038 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1940 0.0316 0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1464 1.1387 0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3577 0.9542 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0360 2.3779 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3557 0.0167 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9333 -1.3829 0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9857 1.1818 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1884 1.4833 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3809 0.0005 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3378 0.7902 2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3966 -0.6435 2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9372 -0.1440 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3784 -2.4604 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1488 -3.6232 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1460 -3.8838 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7509 -3.7385 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2224 -0.7768 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0172 -2.8168 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4985 0.1540 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8408 -1.0264 -3.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0843 -1.9512 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 0.4105 -2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4836 1.3783 -2.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -0.0636 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5157 0.7221 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7291 2.1290 0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5797 2.8639 -1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9922 1.1695 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8775 2.0413 -2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3847 4.2254 -1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9546 3.2678 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1628 3.8202 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7134 4.4920 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9725 1.5061 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2782 2.5996 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1017 2.1952 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 -0.8443 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 0.0677 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 0.8437 -3.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 1.6575 -0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 2.7385 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.2797 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 -0.9429 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 0.1720 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4429 -1.5162 4.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9325 -2.1706 2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 -1.1448 3.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 0.7816 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 -0.6898 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 0.6931 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 -0.9411 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 0.8666 -1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3215 1.7220 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 0.6476 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9504 -0.0134 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7867 -1.0979 -2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 -1.9645 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -2.9192 -2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1629 -1.4644 -2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8761 -3.5429 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3632 -3.4490 0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 -2.7253 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0363 -1.5550 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2992 -0.1131 -0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1391 -0.4551 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5810 -2.1017 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4002 -2.3309 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5857 0.1964 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7251 -1.1702 -1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7480 0.7370 0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9189 -0.5456 1.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1076 1.8360 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9237 1.7135 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3555 0.0102 -1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4135 1.3176 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3496 -0.8379 -0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9418 -1.3816 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3765 0.4317 1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6217 -0.7919 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5370 1.3872 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6254 2.1132 0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1712 0.6611 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8128 2.4094 -0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3565 2.5803 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2366 3.0893 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2816 0.0889 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7268 0.4054 1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8490 -2.0290 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7149 -1.6556 1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1385 -1.7758 0.1492 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 2 0 9 10 1 0 10 11 1 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 22 25 1 0 25 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 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 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 9 65 1 0 10 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 22 82 1 6 23 83 1 0 23 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 29 88 1 0 29 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 49128 1 0 50129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M END