HMDB0263168 RDKit 3D PA(15:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) 115114 0 0 0 0 0 0 0 0999 V2000 17.3294 -2.0865 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8572 -2.2615 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9896 -2.3655 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5694 -2.5440 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0363 -1.3736 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1240 -0.1136 0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1095 0.6553 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7620 0.2376 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9230 -0.0892 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7482 0.3668 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0698 1.3969 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8012 2.6023 -0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 2.9966 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 2.2685 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5652 1.7172 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 1.0364 0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9572 2.0202 1.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 -0.2043 1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 -0.9613 2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 -1.3869 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 -0.2868 0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 0.7605 1.6804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 -0.0751 -0.1145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 1.1137 -0.1945 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3207 1.2234 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 0.3963 0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6008 -0.8741 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 -1.7210 0.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9745 -1.4150 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8374 -0.7558 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0632 0.6895 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2546 1.1856 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7322 0.6287 -1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3150 -0.7776 -1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4123 -0.7868 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1731 -2.0436 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1419 -1.7980 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0477 -0.6350 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9651 -0.7504 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9613 -1.8971 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8020 -1.8904 -1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4588 -0.5266 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 1.8632 -1.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 2.9994 -1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 4.0769 -2.3862 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8659 3.5509 -3.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7961 4.5467 -2.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 5.5275 -2.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5713 -2.8487 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9343 -2.1520 1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4342 -1.0806 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6957 -3.1418 1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5497 -1.3587 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2465 -3.2920 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0933 -1.5050 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5621 -3.4542 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9415 -2.7903 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6180 -1.2650 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0167 -1.6859 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0970 0.1716 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1855 1.5559 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3936 1.2423 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7291 -0.4219 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3355 -0.8493 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2186 0.0402 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1474 0.8274 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 1.5262 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5593 3.1753 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 3.9489 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 2.9375 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4654 1.2331 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 0.9233 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 2.6958 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5717 -0.7618 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 0.2407 2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 -1.9318 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -0.5074 3.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8847 -1.8025 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -2.2614 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 1.8565 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 1.1791 1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 2.2879 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0407 -2.4750 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3266 -0.9931 -1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2355 -0.8590 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7136 -1.3896 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8459 1.2913 1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1899 1.0225 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1202 1.2442 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 2.3331 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4919 1.3319 -1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9354 0.5906 -2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5858 -1.5409 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8369 -0.8738 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9203 -0.5876 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0551 0.1084 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5050 -2.8784 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7228 -2.3933 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5269 -1.6245 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7623 -2.7182 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7414 -0.5495 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5443 0.3421 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3488 -0.8999 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4721 0.2196 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6590 -1.6872 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4002 -2.8249 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1511 -2.0716 -2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5430 -2.6949 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4575 -0.0428 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9197 0.1044 -2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5330 -0.5745 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 2.1761 -1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 1.2861 -2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 5.1384 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 5.5183 -1.1594 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 1 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 39 40 1 0 40 41 1 0 41 42 1 0 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 16 72 1 6 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 1 25 81 1 0 25 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 47114 1 0 48115 1 0 M END