HMDB0266609 RDKit 3D PA(8:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 94 93 0 0 0 0 0 0 0 0999 V2000 9.5506 -2.2452 -4.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2409 -1.9548 -2.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 -0.4766 -2.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0075 0.1732 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7442 0.0446 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -1.2276 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -1.5101 1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3564 -0.5549 2.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1385 -0.2928 3.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6113 0.9004 3.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1139 2.1518 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 2.7403 1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 3.0073 2.4341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8845 1.8721 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0096 0.9178 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 0.5789 1.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -0.4239 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 -0.7668 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 -0.5994 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 -1.5266 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8511 -1.2616 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 -2.2086 -0.5773 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 -0.0175 -0.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 0.2035 -0.5745 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6859 1.1236 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8942 1.4526 -2.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7448 0.5261 -2.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3254 -0.6784 -2.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9854 0.9484 -3.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1598 1.2895 -2.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8109 0.3009 -1.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0559 -0.2504 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8853 -1.2614 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3198 -2.4341 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1298 -3.3443 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6385 0.7600 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 1.9843 0.9929 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1007 2.6254 2.1909 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3629 3.8108 2.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6413 3.0293 1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2433 1.4501 3.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7492 -3.3178 -4.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6922 -1.8682 -4.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4194 -1.5971 -4.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -2.5076 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1248 -2.4189 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2915 -0.1528 -2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6166 -0.0062 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9099 -0.0515 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 1.3015 -1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7005 0.8736 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 0.4126 -1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0027 -2.0314 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 -2.5043 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0322 -1.1396 2.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9475 0.3203 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 -1.1283 3.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 1.0083 3.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0118 2.0905 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 2.9235 3.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 3.7146 1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5896 3.9450 2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6325 2.0714 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 0.3732 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 1.0635 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -0.9323 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 -1.8451 2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 -0.2140 3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0268 -0.8137 2.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 0.4440 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2956 -1.2608 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3134 -2.5741 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 -0.7682 -0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1371 2.0700 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 0.6238 -2.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2388 0.1746 -4.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7184 1.9079 -4.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9556 1.8230 -3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 2.1572 -2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7500 0.8114 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 -0.5163 -2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8744 0.5861 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0943 -0.6536 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2374 -1.6437 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7382 -0.7502 0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 -2.9700 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0075 -2.1573 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7742 -2.7323 0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7973 -3.9634 -0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4964 -3.9857 0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5806 1.0428 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8736 0.0351 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8274 3.9527 2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2989 1.9222 4.2687 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 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 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 24 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 6 25 74 1 0 25 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 40 93 1 0 41 94 1 0 M END