HMDB0008488 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/P-16:0) 133132 0 0 0 0 0 0 0 0999 V2000 -0.6620 8.2182 8.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 7.5985 6.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5922 8.5271 6.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 8.1878 5.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 6.8476 5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 6.2585 4.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 5.1225 3.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 4.2634 4.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8324 2.9543 4.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 1.8510 4.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 1.7828 3.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 0.8825 4.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 -0.2167 4.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.6165 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3967 -1.9658 2.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -2.0158 3.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -3.2002 3.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -4.5277 3.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0551 -5.1358 2.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6783 -5.4985 1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9372 -5.3308 1.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 -6.0047 0.1392 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 -6.4018 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 -5.4866 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 -5.0317 -3.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -3.8429 -3.0796 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 -3.4654 -4.5729 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3729 -4.7158 -5.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -3.2242 -5.6492 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6328 -2.1325 -4.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.1443 -5.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0657 0.0010 -5.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6467 1.0703 -6.4328 N 0 0 0 0 0 4 0 0 0 0 0 0 0.9602 0.9011 -7.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 1.2135 -6.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 2.3034 -5.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3478 -4.6923 -1.3365 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 -3.8524 -1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3446 -2.5779 -1.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2994 -1.7015 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0216 -0.5501 -2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0557 0.4713 -1.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 0.2035 -1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.8866 -1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 -0.9486 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 0.2952 -0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6293 0.2531 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1103 0.1344 -2.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 0.1175 -2.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 0.0489 -3.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 -1.1696 -4.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 -1.0852 -5.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0578 -2.2949 -6.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 9.2083 8.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 8.3141 8.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0291 7.5463 8.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 7.6603 6.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 6.5793 6.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1638 9.5355 5.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2687 8.9537 4.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 6.2215 6.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4831 7.1512 5.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1998 6.8115 3.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 4.7737 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 4.6826 5.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 4.2891 4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8317 2.9251 5.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8161 0.9220 4.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 1.3201 2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 2.7662 3.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 1.1722 5.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -0.8067 4.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 -0.8718 2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 0.1663 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -2.3432 1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 -2.6324 3.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 -1.8188 4.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3419 -1.1175 2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -3.2718 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -3.0417 3.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8526 -5.3003 3.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -4.5244 4.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 -4.6079 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -6.1455 2.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 -7.3864 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 -6.8022 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 -6.3109 -2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 -4.9218 -4.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0191 -5.8523 -3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0935 -1.5988 -6.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -0.8244 -5.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 -0.3949 -5.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 0.3844 -4.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.4732 -7.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 1.9221 -8.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1904 0.2787 -8.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 2.1956 -6.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 0.3720 -6.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 1.2953 -5.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 3.1905 -6.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 2.3520 -4.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 2.1640 -5.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -4.4293 -2.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1939 -2.0993 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8096 -1.3054 -0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4606 -2.2763 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 -0.9992 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0404 -0.0557 -2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2878 1.4220 -2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 0.8634 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1108 1.1805 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -0.0087 -2.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -0.7337 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 -1.8464 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 -1.0129 -2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 -1.8132 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 0.3795 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 1.2213 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9514 -0.7119 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 1.1377 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 -0.8479 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 0.9882 -2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9486 -0.7422 -1.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9289 1.0669 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 0.0340 -3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8448 0.9617 -3.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.0707 -3.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6941 -1.2118 -4.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 -0.1536 -6.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -1.0194 -5.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 -3.1194 -5.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -1.9878 -7.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9493 -2.6808 -6.9107 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 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 39 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 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 34 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 36102 1 0 38103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M CHG 2 29 -1 33 1 M END