HMDB0112655 RDKit 3D PS(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)) 120119 0 0 0 0 0 0 0 0999 V2000 10.0651 0.9712 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 0.2560 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0043 -0.4197 -1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2614 -1.7013 -1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8652 -2.6464 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9110 -3.6429 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 -3.8364 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0942 -3.0416 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6836 -3.9822 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 -4.0284 1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -3.2363 1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7438 -2.4718 2.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 -1.1614 2.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -0.2743 1.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1388 0.6792 0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 0.0638 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0437 -0.6875 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 0.1993 2.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 1.3374 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 0.7864 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4231 0.5083 1.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 0.5874 -0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 0.0971 -1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 0.9182 -1.4893 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2283 2.3014 -2.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 3.0261 -2.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 4.5527 -2.8225 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8994 4.7287 -4.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 4.7388 -3.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 5.7153 -1.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5829 6.5301 -2.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 7.5466 -0.9722 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9153 8.4337 -1.3224 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 8.2660 -0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 7.6795 -0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 9.6433 -0.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1803 1.0927 -0.2517 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4739 0.6578 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0815 0.0973 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0966 0.8600 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4447 0.0902 1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2239 -1.3777 1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4624 -2.1780 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4547 -2.1792 2.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2352 -0.9720 2.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1445 -0.4679 1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2313 -1.3854 1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5542 -1.9616 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8624 -1.8124 -1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5304 -3.1416 -1.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6531 -4.0461 -1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5658 -5.3562 -1.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2348 0.2445 -0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7498 1.7401 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1988 1.3946 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1771 -0.3088 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0257 1.1142 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3372 0.2041 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 -2.1244 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6401 -2.2113 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8210 -3.2712 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2529 -4.3025 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0554 -4.6157 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8633 -2.3846 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2953 -2.3635 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4188 -4.6227 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1925 -4.7364 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 -4.0477 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4321 -2.7446 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 -3.0313 3.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 -0.6893 3.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6669 -0.8270 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9241 0.3834 1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8622 1.4914 1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 1.3036 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4079 0.7627 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 -0.7056 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 -1.6581 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1124 -0.8855 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2696 0.6019 2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.3987 2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 2.0340 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 1.9181 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 -0.9538 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 -0.0959 -2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 0.4102 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 2.2514 -2.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 2.8161 -1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0634 4.4477 -2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 7.0795 -3.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5164 5.9630 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 6.9934 -0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6478 9.4199 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 8.0810 -2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 10.2410 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 0.4612 2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3281 1.9238 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8776 0.3031 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0762 0.4383 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5788 -1.7409 2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 -1.6437 0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 -3.2292 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -1.8174 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1388 -3.0794 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9241 -2.5270 3.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7957 -0.1340 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0431 -1.3552 3.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4597 -0.2797 0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5223 0.5397 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8586 -1.5969 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4577 -2.6412 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4664 -1.2535 -2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8957 -1.2508 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0030 -2.9473 -2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4910 -3.6808 -2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6155 -3.6447 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0742 -4.3191 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8448 -5.1134 -2.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5774 -5.5003 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2650 -6.1851 -1.3057 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 31 90 1 0 31 91 1 0 32 92 1 1 33 93 1 0 33 94 1 0 36 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 52120 1 0 M END