HMDB0298392 RDKit 3D DG(i-12:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 103102 0 0 0 0 0 0 0 0999 V2000 -15.2184 0.6523 -2.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5811 -0.1552 -1.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8921 0.7970 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2432 0.0549 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2083 -0.9329 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5777 -1.6335 1.3278 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.6214 -2.5554 0.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8825 -0.5869 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5634 -0.4552 1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8954 0.5584 2.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5943 0.7761 2.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8015 -0.0252 1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5565 0.0267 1.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2408 0.0807 1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 0.9876 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 1.0316 1.6387 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5018 -0.2022 1.7411 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 1.8323 0.4167 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5089 3.0416 0.5159 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7609 1.2636 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 0.3492 -1.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 -0.9312 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 -0.7630 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 0.3943 0.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 -1.8030 0.3199 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 -1.5839 1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7724 -0.9114 0.4507 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4214 0.2353 -0.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 -1.8310 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 -1.3119 -0.8303 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 -0.2756 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 0.4006 -2.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 0.0959 -1.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 1.4833 -1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 1.3528 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 0.5741 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 1.3169 0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9629 0.5226 1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4719 -0.7356 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4102 -0.6890 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1095 -0.0366 -1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9246 -0.5745 -2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3605 -0.2670 -2.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4161 1.2500 -3.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6259 -0.0467 -3.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9577 1.3718 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4030 -0.6874 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8676 -0.8664 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6023 1.5266 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0889 1.3654 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9967 -0.4400 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7354 0.8363 1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4296 -0.3631 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6356 -1.6852 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3227 -2.2026 1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2255 -2.2105 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4309 0.0411 2.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0848 -1.1185 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4751 1.1754 3.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1916 1.5585 3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2865 -0.8900 1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8245 -0.6184 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -0.5601 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 1.6561 2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5863 1.6368 2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0277 -0.8697 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6944 2.2798 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3059 3.5747 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 0.8287 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 2.2218 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 1.0253 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 0.1970 -2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 -1.6464 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 -1.4784 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9715 -2.5143 1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 -0.8786 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -0.5174 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 -0.0420 -1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 -2.7928 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 -2.1873 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 0.2190 -3.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -0.6570 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8455 2.0976 -1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6441 1.9342 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4213 2.3365 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 0.8127 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 -0.4387 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2815 0.4447 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7740 2.2564 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1302 1.5805 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4572 0.2438 2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7883 1.2029 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5802 -1.3749 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9854 -1.3520 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6211 -1.7983 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4586 -0.3863 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0600 1.0779 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2304 -1.0186 -3.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 -1.3673 -1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2392 0.2540 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4505 -1.3419 -2.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2179 0.0843 -1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2739 0.3533 -3.1922 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 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 27 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 41 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 1 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 16 65 1 1 17 66 1 0 18 67 1 1 19 68 1 0 20 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 26 75 1 0 26 76 1 0 27 77 1 1 28 78 1 0 29 79 1 0 29 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 43103 1 0 M END