HMDB0297504 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/a-15:0/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 -16.2065 3.0630 1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9087 3.2620 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9739 2.0775 1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6774 2.2830 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9683 2.3670 -1.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7367 1.1127 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3701 -0.1506 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8735 -0.9685 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5703 -0.8309 -1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7897 -2.0242 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6265 -2.1249 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6735 -1.1359 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8762 0.2713 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2867 1.1634 -0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2589 0.9790 -1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7849 -0.3435 -2.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5581 -0.8012 -2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -0.0070 -1.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 0.1220 -2.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1534 0.9089 -2.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 0.3607 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9774 -0.1005 -0.1464 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 0.3308 -1.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8553 -0.1312 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 -1.6050 -0.0538 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7399 -2.3692 0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0639 -3.7680 0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 -1.8832 0.9535 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 -2.5089 0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 -2.8322 -0.6431 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 -2.8176 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 -1.5002 1.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0115 -1.7486 2.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6089 -0.4577 3.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0557 0.4902 2.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1706 0.2925 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 -0.8548 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1673 -0.9011 -0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6071 -0.7726 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0872 0.5642 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6167 0.6032 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2425 0.2420 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9295 2.0702 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4090 2.2792 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3243 3.8567 2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0979 3.1646 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2354 2.0338 2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1325 3.3173 -0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3964 4.2190 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5121 1.1843 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7641 1.9434 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2221 3.2355 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5399 1.6411 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6398 1.0421 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7473 1.3007 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3545 -0.4469 0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4919 -1.8778 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0911 0.0806 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9349 -0.8244 -2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3017 -3.0220 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2318 -3.2129 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6402 -1.4346 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5540 -1.4359 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6263 0.6572 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6232 2.2305 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3822 1.6899 -1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6150 1.4534 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5051 -1.0889 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 -1.8415 -2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 -0.6614 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 0.9132 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7586 0.4725 -3.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -0.9137 -3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 1.9477 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 1.0326 -3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 0.2838 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 0.3097 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 -2.0307 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2472 -2.0690 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.4115 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -4.1061 1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 -3.5144 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 -3.3487 2.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0296 -0.9442 2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 -0.8699 1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5359 -2.2938 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 -2.3911 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 0.0329 3.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -0.7353 4.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1283 0.8783 1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3058 1.4634 2.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2776 1.2276 0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0972 0.2750 2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3221 -1.8440 0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1539 -0.9558 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 -0.1687 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9540 -1.8945 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0418 -1.5962 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1202 -0.9887 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6103 1.0357 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 1.2695 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9112 -0.0461 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1731 0.8155 -1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4922 0.4479 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4121 -0.8571 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 2.7011 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3668 2.4586 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9432 2.3564 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7965 1.4430 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 3.2063 1.2633 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 4 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 26 27 1 0 25 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 41 43 1 0 43 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 6 26 79 1 0 26 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 42103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END