HMDB0299280 RDKit 3D DG(i-16:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) 113112 0 0 0 0 0 0 0 0999 V2000 14.4372 4.6572 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8282 3.1518 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0111 2.4011 -1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2322 1.3617 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1466 0.8537 0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3636 -0.7108 0.5295 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5458 -1.0138 -0.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -1.3130 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2733 -1.8752 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1622 -2.5518 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9726 -2.4669 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8377 -3.1123 -0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -3.0246 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7185 -2.3043 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 -2.0868 1.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3413 -2.5993 1.4929 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3899 -3.0771 2.3075 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 -1.6338 0.4097 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2177 -2.3280 -0.5906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 -0.4735 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 0.5497 -0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1759 1.3758 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 0.7491 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6182 0.4834 -2.2308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 0.3840 -0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -0.1591 -0.1279 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4326 -1.5549 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2569 -2.4736 -0.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 0.7019 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 -0.0546 0.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -0.5537 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 -0.3101 -1.8138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 -1.3899 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0594 -1.6054 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5229 -0.5277 1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6348 0.3881 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2899 1.2631 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2075 2.2836 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4893 2.0525 -1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7695 1.6844 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9569 0.4901 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4238 0.1925 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2153 -0.1385 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6414 -0.4333 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5249 0.6459 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2187 1.2909 1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7525 1.7095 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3738 4.7794 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6812 5.0930 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0021 5.1018 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5613 2.8766 0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8899 3.0449 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 2.7325 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6440 0.8835 -1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1777 1.0060 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0065 1.1916 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5102 -0.9152 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3762 -1.7781 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3988 -0.8195 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 -2.3570 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0629 -3.1207 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0384 -1.9273 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7629 -3.6679 -1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8485 -3.5013 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -1.8582 1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 -1.5659 2.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -3.5413 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 -3.6726 2.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 -1.1938 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -3.3227 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7176 -0.5608 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 0.1207 1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -0.0191 -1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 1.1951 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3039 2.1746 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 2.0649 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -0.3355 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5034 -1.8160 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 -1.5514 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 -3.2040 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 1.6242 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 0.9481 1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1462 -1.2769 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0081 -2.4524 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4366 -2.3226 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -2.2767 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7168 0.1762 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9056 -0.9805 2.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9882 0.9585 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4830 -0.3136 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0011 0.6540 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3111 1.8195 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5734 3.0022 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3671 3.0034 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3498 1.3211 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7214 3.0136 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5453 1.6636 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2000 2.5983 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4498 0.6489 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5861 -0.4459 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7515 0.9912 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3559 -0.7463 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7802 -1.1028 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1001 0.5794 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1311 -0.8946 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6772 -1.2591 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5531 0.1724 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7958 0.5959 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6553 2.2664 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2147 1.6588 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0122 2.5192 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7416 2.1633 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7662 1.2594 -1.8865 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 1 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 16 67 1 6 17 68 1 0 18 69 1 1 19 70 1 0 20 71 1 0 20 72 1 0 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 26 77 1 6 27 78 1 0 27 79 1 0 28 80 1 0 29 81 1 0 29 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 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 46108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 47113 1 0 M END