HMDB0294863 RDKit 3D DG(13:0/0:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 104103 0 0 0 0 0 0 0 0999 V2000 -14.4651 -0.0728 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2355 -0.1165 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9785 1.2258 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8463 1.3774 2.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4621 1.1479 2.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1139 -0.1696 1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6632 -0.3487 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4667 0.7111 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0012 0.4321 -1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6903 -0.9454 -1.9339 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6455 -0.9849 -3.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2901 -1.3559 -1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3482 -0.4846 -2.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5412 0.3088 -1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4934 0.4150 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 0.0321 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1451 -0.3415 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7501 -0.7261 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 -0.6048 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 -0.9629 2.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -0.0612 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 0.8736 0.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 -0.1740 1.9512 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1058 0.5826 1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 0.5794 0.1453 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5674 1.0263 -0.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -0.7421 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7392 -0.5308 -1.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3768 -1.6129 -2.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2748 -2.7190 -1.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 -1.5121 -3.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 -0.0999 -3.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9403 0.8819 -3.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3452 0.7514 -2.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -0.3356 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3029 -0.3484 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9002 -1.5028 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4040 -1.4118 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8357 -0.1638 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3531 -0.1033 1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7566 1.1720 1.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1548 1.2304 3.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3056 0.3866 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7026 -1.0859 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2569 0.6012 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5368 -0.8617 2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3969 -0.5876 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9145 1.4902 2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0003 1.9991 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8765 2.4304 3.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0673 0.7471 3.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0889 1.9847 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7925 1.3152 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2285 -1.0713 2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4211 -1.3748 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6787 1.7774 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8601 1.2673 -2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4422 -1.6875 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2675 -0.1142 -3.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1665 -1.5463 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1693 -2.3846 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2975 -0.4824 -3.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8281 0.9654 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 1.5035 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2289 -0.1013 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 0.0834 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -0.3701 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 0.0077 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -1.7478 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 0.4603 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 -1.1819 1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4681 -0.8941 3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1641 -2.0233 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 1.6398 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9933 0.1449 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 1.3098 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6213 0.4710 -1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7644 -1.1576 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.5140 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0474 -2.1044 -3.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4456 -2.0794 -4.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5268 -0.0646 -4.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1518 0.2650 -3.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 1.0795 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 1.8900 -3.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9995 0.8336 -3.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6365 1.7227 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9713 -0.0803 -1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9112 -1.3424 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 -0.4208 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 0.6100 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4741 -1.5436 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6582 -2.4477 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7253 -2.2734 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9204 -1.4838 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4599 -0.1229 2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4992 0.7763 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7856 -0.0643 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7494 -0.9585 1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8581 1.1723 2.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3610 2.0329 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7173 2.0053 3.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1020 1.5212 3.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3291 0.2657 3.8829 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 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 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 40 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 9 57 1 0 10 58 1 1 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 1 26 77 1 0 27 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END