HMDB0262792 RDKit 3D PA(12:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 104103 0 0 0 0 0 0 0 0999 V2000 15.7885 0.9703 -2.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7568 0.5568 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7222 -0.9130 -1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8083 -1.4450 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3432 -1.2852 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6985 -0.0005 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8626 0.3445 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5642 -0.5030 1.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 -1.0495 2.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 -0.9241 1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9596 -0.2207 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 -1.2641 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 -1.1322 -1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.0187 -1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1584 0.0786 -1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3099 1.2298 -1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 2.1350 -0.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 1.3009 -1.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 2.5871 -1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 2.8396 -2.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 1.7877 -1.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 0.7956 -2.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 1.8796 -0.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5806 0.9389 0.0538 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8671 1.5603 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7524 0.5259 0.9356 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0129 0.8560 1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2862 2.0895 1.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9042 -0.2171 1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1730 0.2727 2.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0504 1.0907 1.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5652 0.4138 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4001 -0.8075 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5888 -0.4449 1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5290 0.5256 0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1560 0.0623 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9700 -1.1908 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5958 -1.6234 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5218 -1.8923 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 0.1608 1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -0.4940 0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -1.3576 2.1475 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2258 -2.2309 2.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 -0.2383 3.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.2664 1.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2165 1.1809 -3.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4833 0.1075 -2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3279 1.8591 -2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8002 0.9805 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0860 1.0031 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7500 -1.3316 -1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4447 -1.3663 -2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9645 -2.5936 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1999 -1.0429 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7918 -2.0789 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1123 -1.7003 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7687 0.7825 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4215 1.3773 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8391 0.1058 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3418 -1.3393 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 -1.6604 3.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 -1.4165 1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7912 0.3070 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1824 0.5151 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0465 -2.1084 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8416 -1.8922 -2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6459 0.7892 -0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 -0.7126 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3765 0.4420 -1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1202 1.2740 -3.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 3.4468 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3376 2.6114 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 3.7846 -1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 2.9098 -3.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 0.1821 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 2.2138 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 2.0742 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0972 -0.9702 1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3666 -0.7943 2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7190 -0.6124 2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9092 0.8912 3.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6002 2.0728 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9505 1.3697 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1595 1.1628 -0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7632 0.0800 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7001 -1.3585 -0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7529 -1.4642 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3002 -0.0925 2.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1617 -1.4045 1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0823 1.5465 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3765 0.6738 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3931 -0.1527 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8580 0.8700 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3446 -2.0395 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7883 -0.9777 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1461 -2.5697 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2712 -0.8315 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6350 -2.3506 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1982 -0.9378 -2.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9321 -2.5817 -3.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 0.8410 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7876 -0.5841 1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 0.6405 2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8018 -3.1972 1.3809 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 24 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 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 6 25 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 44103 1 0 45104 1 0 M END