HMDB0299574 RDKit 3D DG(i-18:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 119118 0 0 0 0 0 0 0 0999 V2000 15.3195 -0.0386 -2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8833 0.8020 -1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2166 1.3488 -2.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1949 -0.1028 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9900 -0.8363 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9134 0.1049 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7170 -0.6596 1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6191 0.2703 1.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4961 -0.6026 1.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 0.1452 2.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6515 1.0534 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1635 0.2403 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 1.0927 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2641 1.8066 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 0.8258 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 -0.1080 -0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 -1.0751 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5639 -0.3920 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 -0.9678 1.3165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 0.8645 0.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1914 1.6803 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 1.2569 -0.0088 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1675 1.2568 -1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 0.0098 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1258 -0.0261 0.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7828 -1.1498 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 -2.0340 1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2274 -1.3759 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 -2.6601 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1365 -2.9323 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9335 -1.8402 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7724 -1.1274 0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9947 -1.3617 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7014 -0.2154 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5778 0.3211 -2.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9740 -0.0936 -2.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9473 0.9689 -2.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8703 0.8825 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0997 -0.2923 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4567 -0.8684 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3212 -0.9188 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1219 -0.4570 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0755 0.5432 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1655 1.8268 1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7008 1.7586 -0.0026 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.1037 1.1683 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7775 3.0667 -0.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0366 -0.8230 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2304 0.6645 -3.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3038 -0.3939 -2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1953 1.6116 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9745 0.5577 -1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4510 2.2764 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1717 1.5695 -3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9137 -0.8870 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6940 0.4404 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3054 -1.4362 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6052 -1.5281 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5769 0.7185 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3334 0.7856 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3093 -1.3363 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0500 -1.2441 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3221 0.9486 0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0364 0.8712 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9034 -1.2017 2.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2184 -1.3371 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 -0.6180 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5962 0.6683 3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 1.8627 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8029 1.5465 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0553 -0.2070 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5209 -0.6060 0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2163 1.9020 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 0.4654 -1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 2.3351 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5255 2.5705 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 1.4533 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5809 0.2608 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5876 -0.6875 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 0.4780 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2605 -1.5827 0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -1.7986 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 1.8278 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 2.7421 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 2.1422 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 1.5061 -1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 -0.0954 1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 -0.9037 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7622 -0.4868 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 -1.4048 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -2.7096 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0493 -3.4692 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2313 -3.1073 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4238 -3.9218 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7762 -1.6547 2.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3372 -0.3220 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1279 -1.5266 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6084 -2.3144 -1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6712 0.1838 -1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2322 1.1920 -3.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0607 -0.1783 -3.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2377 -1.1033 -2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8243 1.8952 -2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5463 1.7496 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8328 -0.1028 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4107 -1.1598 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7410 -1.2651 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3065 -1.3661 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2875 -1.3948 2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1025 -0.0775 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1028 0.0652 2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6938 0.7468 3.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1184 2.2852 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6807 2.6260 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1019 1.1983 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4683 1.0910 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7776 1.8527 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0997 0.1437 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5829 3.1139 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 1 23 86 1 0 24 87 1 0 24 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 6 46116 1 0 46117 1 0 46118 1 0 47119 1 0 M END