HMDB0270411 RDKit 3D PG(18:3(10,12,15)-OH(9)/22:5(7Z,10Z,13Z,16Z,19Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -2.4608 0.2502 -10.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 0.2982 -9.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 1.2523 -8.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 0.9480 -7.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 -0.4096 -7.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -0.4816 -6.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 -0.8363 -4.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 -1.2096 -4.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 -2.5831 -3.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9445 -2.9573 -2.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.9762 -1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 -2.2589 -1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9607 -2.6177 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 -2.7874 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0267 -4.2230 1.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2862 -4.6219 2.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5218 -3.6772 3.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 -3.9218 4.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -2.9583 6.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 -3.2096 7.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -3.0552 6.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 -1.7010 6.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8063 -0.7691 6.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 -1.4743 5.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 -0.1879 5.4629 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7901 -0.1155 3.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -0.9342 3.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 -2.2876 3.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -2.9757 3.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.9509 2.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 -1.9959 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 -1.4624 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4819 -0.5148 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 0.0578 -1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 0.8317 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 1.4620 -1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4551 2.2097 -0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2494 1.3580 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 2.9988 -1.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 2.7667 -1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 3.4386 -2.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 3.1920 -2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1906 3.8033 -2.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0546 4.4422 -1.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3073 4.0365 -1.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1995 4.6527 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5954 3.5127 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8755 0.3275 6.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9717 -0.4761 5.8419 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 0.0868 6.5609 P 0 0 0 0 0 5 0 0 0 0 0 0 6.1150 -1.0388 7.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 1.2450 7.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.6476 5.3417 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 2.0227 5.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2827 2.3953 4.0404 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9182 1.7392 2.8589 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 3.8906 3.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9561 4.2328 2.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -0.5615 -11.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 0.0635 -10.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 1.2322 -11.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -0.6816 -9.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4123 0.7682 -10.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 2.3144 -9.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 1.7386 -6.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -0.9311 -6.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9335 -1.0222 -7.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -0.2029 -6.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -0.8635 -4.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3982 -1.0300 -4.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7282 -0.4131 -3.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -3.3794 -4.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 -4.0450 -2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 -1.9284 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3296 -0.9127 -1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4165 -2.1346 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9889 -2.8117 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9042 -2.6232 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 -2.1455 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8617 -4.9878 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3452 -5.7024 3.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 -3.9837 4.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 -2.6296 3.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6381 -4.9413 5.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -3.8189 4.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 -1.8986 5.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 -3.2066 6.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -4.2401 7.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9587 -2.5062 8.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2869 -3.2996 7.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0836 -3.8003 6.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7949 0.5514 5.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 0.9552 3.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7905 -0.2388 3.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7117 -3.2534 3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 -3.8528 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5381 -2.5555 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1453 -1.1920 2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8428 -1.0688 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -2.3497 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3477 -1.0030 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 0.3176 0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 0.6498 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 -0.8452 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 1.5550 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8035 0.0740 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 2.1161 -2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1006 0.6185 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 2.9385 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2277 1.6234 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1309 3.7387 -2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1025 2.0156 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4953 4.1864 -3.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3189 2.4203 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7955 3.1008 -3.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8842 4.6108 -3.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6691 5.2342 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7305 3.2571 -2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6751 5.4476 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0892 5.0149 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8984 3.8838 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3788 2.9016 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7043 2.8518 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 1.3556 5.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 0.3072 7.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 2.1299 7.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3431 2.4102 4.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 2.5509 6.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3291 2.1640 4.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6714 1.8838 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4515 4.4646 4.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 4.0972 3.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5248 4.8464 2.0816 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 2 0 16 17 1 0 17 18 1 0 18 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 27 28 1 0 28 29 2 0 28 30 1 0 30 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 37 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 1 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 54127 1 0 54128 1 0 55129 1 1 56130 1 0 57131 1 0 57132 1 0 58133 1 0 M END