HMDB0009193 RDKit 3D PE(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) 119118 0 0 0 0 0 0 0 0999 V2000 7.5721 2.9178 -3.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3965 2.0493 -2.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1326 1.3422 -2.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 1.4654 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3312 2.3955 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1862 1.5553 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 1.7030 2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 2.7987 1.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 3.6182 3.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 3.8026 3.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 3.2446 3.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 4.3441 4.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 4.6974 3.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1665 4.1311 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 5.2160 0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 5.8632 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1263 4.9051 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 4.4556 -1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 4.9021 -1.8923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 3.5836 -2.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3268 3.0568 -3.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 2.0797 -3.7005 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1354 2.4537 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8109 2.4948 -2.5611 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 2.9299 -2.8001 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4450 4.4032 -3.1626 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0382 1.9876 -4.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3549 2.6795 -1.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 1.9561 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4971 1.7133 0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6723 0.9480 1.7054 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4105 0.8111 -3.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -0.3335 -3.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 -0.2615 -4.8665 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -1.6661 -2.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -2.6344 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -4.0128 -3.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -4.0052 -1.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 -5.3643 -1.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -5.8366 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2285 -5.0300 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 -4.9191 1.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 -5.3740 2.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 -6.0804 3.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -6.5456 2.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -6.1331 1.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 -5.1422 2.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3071 -3.9149 2.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 -3.7288 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4308 -4.3759 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -5.8308 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5611 3.2739 -3.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 3.7706 -3.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9979 2.3639 -4.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 1.2459 -2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7116 2.6103 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 0.6374 -2.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 0.8708 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3762 2.8156 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6032 3.1791 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9163 0.7438 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 1.0338 2.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 2.2481 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 3.4196 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 4.0960 3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 4.4368 4.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 2.7174 2.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 2.5917 4.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 4.9539 4.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4784 5.5730 3.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 3.2910 1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 3.7459 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 5.9433 1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 4.7297 -0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 6.3460 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 6.6956 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 3.9910 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 5.3714 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 3.9074 -4.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 2.5741 -3.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 1.7804 -4.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3068 3.4514 -4.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 1.6904 -4.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 1.0358 -3.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 2.5695 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 1.0282 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 2.6498 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4205 1.1213 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6846 1.2292 1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0913 0.8383 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 -2.0387 -2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -1.5843 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7271 -2.2253 -4.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -2.7472 -4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 -4.5826 -3.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -4.5807 -3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -3.6695 -2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 -3.3096 -1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 -6.0237 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3398 -6.8880 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -3.9639 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 -5.4676 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7821 -4.3909 2.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 -5.1798 3.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2054 -7.0656 3.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6731 -5.5723 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 -7.3470 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 -6.6313 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -4.8949 3.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8297 -5.7049 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 -3.1686 2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -3.3899 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3549 -3.8402 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 -2.5735 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4543 -4.2276 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -3.8709 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9072 -6.2552 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7351 -6.0170 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 -6.4496 -0.7904 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 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 0 21 80 1 0 22 81 1 6 23 82 1 0 23 83 1 0 27 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 46108 1 0 47109 1 0 47110 1 0 48111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 51119 1 0 M END