HMDB0299169 RDKit 3D DG(i-16:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0) 113112 0 0 0 0 0 0 0 0999 V2000 10.0371 3.8593 -1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0885 3.2952 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 2.3309 -1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0241 1.6663 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5933 0.8146 0.8229 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8404 0.2803 1.2685 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0415 1.6563 1.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2037 1.3225 2.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6031 0.0253 3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9649 -1.0854 2.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0677 -1.7075 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6394 -1.4167 1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2548 -1.0805 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 -1.8403 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 -3.0048 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 -3.1613 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 -2.3591 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 -0.9815 -0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 -0.0848 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 -0.4321 0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6016 -0.2432 -0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9944 0.3718 -1.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 -0.7746 -0.5132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -0.6001 -1.6578 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6140 -2.0146 -2.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 -2.5212 -2.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 -0.0631 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5991 -0.9182 -0.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 -1.2742 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -0.7895 1.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 -2.2122 1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 -2.9581 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2476 -2.1412 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1363 -1.3159 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1063 -0.4920 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0077 -1.3257 -1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9378 -0.4411 -1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8362 0.4044 -0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6445 -0.5168 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5487 0.0222 0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7062 0.8647 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4769 2.1794 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8115 2.9570 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4929 4.2771 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3629 3.2435 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6131 4.7992 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5305 4.0853 -2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2066 3.1423 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4884 2.8618 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6804 4.1230 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3830 2.9248 -1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 1.5869 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8059 2.3390 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5459 0.9069 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9393 0.0665 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9552 -0.6273 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4142 2.7221 1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8837 2.1208 3.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9188 -0.3386 4.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 0.1588 3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0277 -1.4609 2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5176 -2.5376 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4425 -0.4200 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9528 -2.0907 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7099 -0.1912 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2166 -1.5274 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3662 -3.4459 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0228 -3.8667 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -4.2010 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 -2.7406 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 -0.5953 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -0.9301 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 -0.1818 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9514 0.9874 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3652 -1.4405 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 0.2414 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0999 0.0225 -2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -2.6144 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 -1.8929 -3.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 -3.2776 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 0.1126 -2.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 0.9488 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8463 -1.7148 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -2.9707 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -3.5774 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8174 -3.6870 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -2.8285 -0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7812 -1.4825 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4902 -0.5848 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6633 -1.9976 1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7306 0.0587 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5136 0.2211 -0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3312 -1.7852 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4653 -2.1438 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4021 0.2648 -2.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6257 -1.0329 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4284 1.0000 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2312 1.1109 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9379 -1.2246 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2222 -1.1722 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9027 -0.8848 1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8818 0.5307 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5390 0.2982 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2255 1.0995 1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7306 2.7967 0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1810 2.0395 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5535 2.3664 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6863 4.1482 -1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4485 4.5612 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1351 5.0888 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1091 2.4507 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8131 4.2573 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5664 3.2094 2.0856 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 1 0 29 30 2 0 29 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 43 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 6 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 6 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END