HMDB0267465 RDKit 3D PA(i-13:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 107106 0 0 0 0 0 0 0 0999 V2000 14.3107 -4.4046 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0855 -2.9467 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1498 -2.3566 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9115 -0.9021 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9503 -0.2590 -1.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7877 1.1323 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6609 1.7100 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3815 0.9511 -0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4446 1.6762 -1.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 2.1436 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8766 1.9490 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6398 3.2379 0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 3.4709 1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 2.6675 1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 1.9421 1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 0.6821 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 0.2880 1.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -0.1662 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -1.4089 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.3671 -1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 -1.1409 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 -1.9807 0.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 -0.0928 -0.8432 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4225 -0.0812 -0.0841 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6333 -0.0090 -1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 -0.1272 -0.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1033 -1.3037 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 -2.2579 0.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -1.4746 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4453 -1.9859 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9136 -1.0225 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3756 0.2638 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4478 0.3912 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8397 0.0204 0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0682 -1.3850 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4325 -1.9055 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3595 -1.3831 -0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8991 -0.0010 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6507 0.0909 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9939 0.2334 -1.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 1.1720 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 2.3207 0.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 3.6957 0.9986 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1563 3.7387 1.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7137 3.7014 2.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 5.0808 0.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3568 -4.8919 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5863 -4.9629 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0562 -4.5453 -1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5426 -2.9188 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0148 -2.3839 0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1812 -2.8672 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6342 -2.4635 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8297 -0.2963 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4069 -0.8392 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0841 -0.8808 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5329 -0.2640 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7338 1.7240 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 2.7449 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1117 0.8123 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5187 -0.1071 -1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6775 1.8595 -2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6263 2.6819 -1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 1.3840 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5491 1.3420 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4377 3.9898 0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 4.4889 1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 3.7698 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 2.3971 2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6691 -0.3717 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 0.5206 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 -1.7701 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 -2.2319 0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 -0.5427 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8822 -2.2868 -1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 -0.9218 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 -0.8161 -1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 0.9840 -1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1151 -2.1499 2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 -0.4448 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2996 -2.2845 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1247 -2.8992 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8975 -0.7558 -1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5040 -1.5260 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6943 0.8837 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4496 0.8411 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4859 1.5096 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1651 -0.0524 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1211 0.6318 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5528 0.3150 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6129 -2.0463 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5022 -1.7055 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2948 -3.0265 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9006 -1.9573 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2761 -2.0497 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9190 -1.4220 -2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1420 0.7594 -0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9740 -0.0467 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4396 -0.7064 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0951 1.0857 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6330 0.9846 -2.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9006 0.5964 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1657 -0.7440 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 1.1095 1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5329 1.1332 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5262 4.0661 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 4.9665 -0.5292 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 2 0 27 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 24 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 1 25 77 1 0 25 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 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 39 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 45106 1 0 46107 1 0 M END