HMDB0115017 RDKit 3D PA(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 115114 0 0 0 0 0 0 0 0999 V2000 14.5492 -2.6080 2.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2452 -1.6491 1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2523 -2.2869 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0988 -1.7684 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6186 -0.5064 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 -0.8285 1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1977 -0.3555 1.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9842 0.6537 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5331 1.9190 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4109 2.5619 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4185 2.0220 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 3.0228 -1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4802 2.7280 -2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 1.4492 -3.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 1.0381 -4.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 -0.0644 -4.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3657 -1.0860 -3.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 -1.3658 -2.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -0.0485 -2.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -0.2365 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 -1.3237 -1.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 0.8818 -0.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 1.0096 -0.0166 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4767 1.8047 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 2.0380 0.0707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 1.1904 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1317 -0.0247 0.7393 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 1.7243 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1757 0.7487 2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6757 -0.5437 1.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7209 -0.6354 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4722 -0.1977 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6692 -0.4745 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8491 0.3200 -0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0484 0.0450 -1.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1750 -0.4326 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3127 -0.7387 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5918 -2.1629 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6390 -2.6311 1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6890 -1.7779 1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0243 -2.0532 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7544 -1.1955 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3466 0.1985 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2703 0.4724 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 1.3850 1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 0.3739 2.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 0.5644 3.6448 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7469 1.6881 4.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 0.7432 4.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 -0.8803 4.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6823 -2.7177 2.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4548 -2.2499 2.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7497 -3.6069 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2059 -1.6485 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0656 -0.6365 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5451 -3.2458 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3830 -2.2675 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5457 0.2188 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3411 -0.0485 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5084 -1.5732 2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 -0.6330 1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 0.1524 -0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 0.7796 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2224 2.3770 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1944 3.5224 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6636 1.0325 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4174 2.0458 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9489 4.0170 -1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 3.5527 -3.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8233 1.7042 -4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2402 0.6814 -2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7385 1.7920 -5.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5041 -0.2592 -5.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0895 -0.9522 -2.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 -2.0661 -3.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 -1.7214 -3.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -2.0740 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 0.6080 -2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 0.3565 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -0.0715 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 1.3062 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 2.8045 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 2.6005 2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2563 2.1805 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 0.5333 3.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 1.3135 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1111 -1.1215 2.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 -1.2680 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6522 -0.1363 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0214 -1.7389 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 0.8716 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -0.7337 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 -1.5609 -1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3624 -0.1218 -2.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5722 1.4071 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9999 0.4031 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9640 0.2634 -2.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0471 -0.6237 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4846 -0.3920 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2122 -0.1454 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8685 -2.9267 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7586 -3.7315 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4165 -0.7550 1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8103 -2.1626 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3899 -3.0853 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7292 -1.5596 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2203 0.8334 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4936 0.5628 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3528 1.5543 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3332 0.1058 -1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1510 -0.0497 -1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 1.5188 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 2.3248 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 0.2561 5.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 -1.5923 4.3364 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 1 24 81 1 0 24 82 1 0 28 83 1 0 28 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 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 49114 1 0 50115 1 0 M END