HMDB0112435 RDKit 3D PS(18:2(9Z,12Z)/22:0) 144143 0 0 0 0 0 0 0 0999 V2000 -5.3959 6.5551 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9877 6.0993 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6396 4.7264 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0819 3.5520 -1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4519 3.0580 -1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5085 3.8738 -2.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6273 4.1293 -1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0001 3.6622 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2691 4.7522 0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5805 4.9857 1.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4409 4.1740 2.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6291 3.5041 3.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3377 2.7109 3.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2275 1.9880 5.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 1.2715 5.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 0.2202 4.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -0.4833 4.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -1.1543 5.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 -1.2273 6.5335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 -1.7647 5.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 -2.4462 6.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 -2.8838 5.7109 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0313 -3.6577 6.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 -4.0718 6.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 -4.9495 7.0470 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2441 -6.3686 6.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6141 -4.8923 8.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 -4.1953 6.9661 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 -4.3652 5.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5463 -3.6999 5.5626 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0089 -3.8922 4.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4745 -4.3912 6.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2501 -4.3849 7.7056 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5804 -5.0392 5.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -1.7130 5.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 -1.5027 3.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 -2.4168 3.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3398 -0.3120 3.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 -0.1752 1.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 0.0317 1.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 0.1833 0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 -1.0812 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2238 -0.8832 -1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -1.8564 -2.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 -2.2024 -3.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -2.7819 -3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 -2.1694 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -0.7986 -3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 -0.6372 -4.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 0.8307 -4.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 1.1888 -6.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 0.8445 -7.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 1.2697 -8.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2975 0.9888 -9.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -0.4656 -9.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -0.7796 -10.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 -0.1202 -10.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9954 -0.5211 -12.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8782 6.5809 -2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0077 6.0803 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4532 7.6701 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 6.3885 -2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4213 6.7935 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 4.6354 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 4.6446 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 3.6102 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 2.6708 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8014 2.5109 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3787 2.1441 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3914 4.3102 -3.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3808 4.7571 -1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4123 2.8791 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0600 3.1890 -0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1090 5.4203 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8933 5.8332 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 3.3657 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4975 4.8258 2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4533 2.7999 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 4.2828 4.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4021 1.9388 3.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4386 3.3205 3.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3873 2.6595 6.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0664 1.2459 5.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 2.0837 5.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7376 0.8763 6.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9896 0.6782 3.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6187 -0.5209 4.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7059 0.3064 3.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4261 -1.1791 3.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0533 -1.9300 7.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6838 -3.4184 6.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8298 -3.5020 4.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -4.5926 6.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -3.1650 7.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -5.8108 8.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 -3.9426 4.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 -5.4619 5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4684 -2.6110 5.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6795 -3.1410 3.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1539 -3.8871 3.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4970 -4.5955 6.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 0.6411 3.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 -0.4036 2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 -1.0963 1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1631 0.6778 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 0.9560 2.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 -0.7784 2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 1.0978 0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 0.2433 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6923 -1.2779 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 -1.8955 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 0.1498 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -0.6116 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 -1.4652 -3.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -2.8176 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 -2.9251 -4.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3381 -1.2830 -4.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -3.8137 -2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 -3.1403 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0655 -2.2982 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 -2.8381 -2.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 -0.0851 -2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 -0.4602 -2.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7938 -1.1988 -4.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 -0.9157 -5.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8718 1.2082 -3.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 1.4116 -4.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 0.7492 -6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 2.3102 -6.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 -0.2461 -7.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 1.3664 -6.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 2.3560 -8.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 0.7131 -8.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 1.3921 -10.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 1.6028 -9.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 -0.8413 -8.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -1.0136 -9.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -0.4073 -11.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 -1.8760 -10.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 0.9861 -10.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.5182 -10.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4913 -1.4792 -11.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 0.2453 -12.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 -0.6418 -12.9356 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 1 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 30 32 1 0 32 33 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 0 21 91 1 0 22 92 1 6 23 93 1 0 23 94 1 0 27 95 1 0 29 96 1 0 29 97 1 0 30 98 1 1 31 99 1 0 31100 1 0 34101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 58144 1 0 M END