HMDB0298333 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0/i-12:0) 101100 0 0 0 0 0 0 0 0999 V2000 -13.6752 1.5388 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6058 2.6143 -1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4545 2.0975 -0.9671 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.9395 0.9425 -1.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9979 1.9059 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8471 1.3910 1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 0.1207 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1935 -0.1885 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0725 0.6997 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8487 0.4640 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5515 -0.5030 1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3921 -1.6008 2.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 -2.9722 1.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1041 -3.4537 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9475 -2.7802 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7106 -3.2990 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 -2.5836 1.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 -1.1237 1.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4933 -0.6180 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 -1.0681 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 -0.5670 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2115 -0.9112 -2.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 0.3013 -0.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 0.7732 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 1.7436 -0.0302 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7983 1.1529 1.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 2.2575 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2392 -0.8807 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 0.4636 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1905 0.6518 1.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3456 -0.6277 -0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -0.5399 -1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5089 -1.6167 -2.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8763 -1.5505 -1.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5577 -0.2572 -1.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9221 -0.2085 -1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8187 -0.3575 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0677 -0.3512 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9499 0.8308 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5416 1.1967 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2857 2.0280 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2163 0.5388 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3425 1.6603 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2098 1.6334 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2551 2.8694 -2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9874 3.5281 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6689 2.8824 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0869 0.8563 -2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7156 1.0377 0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4657 2.7996 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3217 1.1277 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1178 2.1765 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1585 -0.6828 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0637 -1.2108 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4692 1.7443 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 0.9160 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0388 1.2537 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5256 -0.4440 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4996 -1.4393 2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3182 -1.6272 3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8185 -3.7284 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1169 -4.5927 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0575 -1.7263 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9748 -3.2175 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 -4.4216 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 -3.0825 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 -0.7955 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -0.6288 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 -1.0550 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 0.4697 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2783 -0.6705 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 -2.1655 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 1.2933 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 -0.0593 -1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 2.6023 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 0.8256 1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 3.0413 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 2.7404 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 -1.5814 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2582 -0.4783 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5906 -0.7443 -2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9045 0.4620 -2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6776 -1.4594 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1014 -2.6094 -2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4808 -2.3653 -2.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7506 -1.7895 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9932 0.6154 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6379 -0.0880 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5081 -1.0377 -1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3697 0.7786 -1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3603 -1.3833 0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0308 0.3265 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6168 -1.2997 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7587 -0.5033 2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8298 0.5975 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6496 1.4706 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 2.1116 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5838 0.3253 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0080 2.8756 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3620 2.3325 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1532 1.7602 2.6318 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 3 5 1 0 5 6 1 0 6 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 25 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 39 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 1 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 9 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 1 26 76 1 0 27 77 1 0 27 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END