HMDB0294555 RDKit 3D DG(10:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 96 95 0 0 0 0 0 0 0 0999 V2000 -10.1680 -3.0721 1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9286 -2.5369 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2796 -1.3391 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8008 -0.1425 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7581 0.1105 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2479 1.1170 1.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6452 2.2405 2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4059 2.6618 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7188 3.9145 0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5953 4.0604 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1275 2.9998 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9053 3.5037 -2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 2.9490 -2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 1.7351 -1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9381 0.6789 -2.3687 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9822 0.4993 -3.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7086 -0.6183 -1.6591 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3757 -1.6084 -2.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -0.4630 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 -0.0651 -1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 0.0728 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 -1.2390 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -1.4014 1.4788 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 -2.2268 -0.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8648 -3.4769 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5796 -3.5217 1.7313 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9625 -2.8364 2.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0235 -3.1445 1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 -1.8270 1.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0478 -0.7095 2.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 -0.8131 3.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4018 0.6701 1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1504 0.7185 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 -0.0273 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1945 0.0361 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4824 -0.7154 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 -0.2384 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9102 1.1758 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8915 1.4608 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0848 0.5225 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9576 -3.1573 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9398 -4.1193 1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5094 -2.4227 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0446 -2.5626 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7340 -3.3395 -0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0435 -1.4673 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1285 0.7214 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5066 -0.8327 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8670 0.4082 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1906 0.8490 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0525 2.9688 2.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8978 1.8942 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 2.9408 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0823 4.7813 1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8418 5.0192 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 2.9558 -2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9468 2.0269 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9838 4.4328 -2.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 3.4168 -2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 1.9734 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2513 1.3404 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 1.1147 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0347 -0.4429 -3.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 -0.9215 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6572 -2.1890 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -1.4231 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 0.2578 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -0.7938 -2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 0.9670 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 0.2672 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 0.8815 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 -3.9793 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 -4.1280 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 -4.6218 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 -3.2613 3.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 -3.8441 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 -3.4927 2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 1.2485 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 1.1371 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 0.2370 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 1.7581 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1124 0.5257 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3775 -1.0624 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 -0.4422 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 1.0945 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9548 -0.6277 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2793 -1.7855 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3604 -0.8928 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0845 -0.4012 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0548 1.8477 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4046 1.2898 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3840 1.3128 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2618 2.4932 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8837 -0.4493 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9117 1.0036 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3705 0.3904 -0.0340 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 7 51 1 0 8 52 1 0 8 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 6 16 63 1 0 17 64 1 1 18 65 1 0 19 66 1 0 19 67 1 0 20 68 1 0 20 69 1 0 21 70 1 0 21 71 1 0 25 72 1 0 25 73 1 0 26 74 1 1 27 75 1 0 28 76 1 0 28 77 1 0 32 78 1 0 32 79 1 0 33 80 1 0 33 81 1 0 34 82 1 0 34 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 M END