HMDB0262793 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)+=O(5)/12:0) 104103 0 0 0 0 0 0 0 0999 V2000 -11.9066 1.8623 2.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8907 1.5079 1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5383 0.5800 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7663 0.0567 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2036 0.8659 -1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2465 1.9127 -1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0040 2.0514 -1.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1504 1.2064 -2.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7167 0.0292 -3.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3878 -1.1861 -2.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4102 -1.5451 -1.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 -2.3156 -2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0704 -1.9654 -2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6357 -0.7630 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -0.3601 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 0.8535 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8496 1.6230 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.2048 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4027 2.5758 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 3.0412 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 2.1537 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9178 1.2864 1.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9592 2.1788 1.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 1.3438 2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4328 -0.1112 1.9375 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9001 -0.9872 3.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -2.3334 2.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 -3.2573 4.1425 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4460 -4.0305 3.7946 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4484 -2.2444 5.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 -4.4197 4.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 -0.4292 0.7546 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 -1.0077 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -1.2970 -0.3871 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 -1.2974 -1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 -2.6742 -1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 -3.2009 -2.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0866 -2.4441 -2.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 -2.1081 -1.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 -1.1328 -0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9516 -0.8738 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 0.1184 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1953 1.4339 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8365 2.4534 1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4952 3.7355 1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6455 2.5501 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3063 0.9707 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2959 2.4738 3.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0267 1.0535 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5185 2.4442 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5653 0.9598 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8459 -0.3295 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9785 -0.6547 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4496 -0.7185 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9929 0.1759 -2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1453 1.4183 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6508 2.7940 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5365 3.0113 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6829 1.8589 -3.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1755 0.9871 -1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4493 0.1910 -3.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8792 -2.0017 -3.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0553 -0.7494 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9489 -2.2365 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6062 -3.2442 -2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -2.5952 -2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3221 -0.1016 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 -0.9810 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 1.2387 -1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 0.4238 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 3.2835 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 2.6085 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5786 3.1302 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 4.0767 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5698 1.6467 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 1.4830 3.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 -0.4038 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 -0.6918 3.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 -0.8694 3.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 -2.1827 5.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2665 -4.4388 3.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7561 -1.3707 -2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 -0.5027 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 -3.4028 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2725 -2.7743 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2986 -3.3453 -3.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1505 -4.3013 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5697 -2.9520 -3.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6913 -1.4671 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6473 -3.0198 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0069 -1.6142 -2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9031 -1.3870 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5737 -0.1230 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8402 -0.5639 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2245 -1.8293 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 -0.2357 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3888 0.2411 2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 1.2995 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0056 1.8795 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6371 2.5725 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 2.1037 2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8472 4.3916 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 3.4395 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 4.2895 0.7973 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 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 2 0 15 16 1 0 16 17 2 0 16 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 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 24 76 1 0 25 77 1 6 26 78 1 0 26 79 1 0 30 80 1 0 31 81 1 0 35 82 1 0 35 83 1 0 36 84 1 0 36 85 1 0 37 86 1 0 37 87 1 0 38 88 1 0 38 89 1 0 39 90 1 0 39 91 1 0 40 92 1 0 40 93 1 0 41 94 1 0 41 95 1 0 42 96 1 0 42 97 1 0 43 98 1 0 43 99 1 0 44100 1 0 44101 1 0 45102 1 0 45103 1 0 45104 1 0 M END