HMDB0008446 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)/22:0) 152151 0 0 0 0 0 0 0 0999 V2000 -1.3153 0.1741 -6.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -0.9932 -6.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 -2.1502 -6.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 -3.3397 -7.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -3.9129 -6.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 -5.0880 -6.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3112 -5.2963 -6.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 -4.3744 -6.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -5.1580 -5.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 -4.9209 -4.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 -3.7071 -3.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3118 -2.9831 -3.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -1.7573 -3.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 -0.8663 -4.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 0.3012 -3.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 0.6535 -3.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9653 -0.0462 -3.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 -0.6282 -2.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 0.2037 -1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 0.9445 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 2.1877 -0.8273 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8607 0.2811 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6392 0.9942 1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.0781 2.3009 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0280 -0.5180 3.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 -1.3039 2.2111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 -1.8597 3.1980 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5208 -2.2533 4.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 -3.2080 2.5422 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1722 -0.6629 3.4429 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -0.2640 4.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2931 0.8238 4.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 1.2539 6.3199 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5875 2.1115 6.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 0.2038 7.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 2.0972 6.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 0.8721 3.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 0.6344 3.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 -0.3164 2.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 1.4542 4.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 2.5456 4.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 3.5796 4.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9388 4.5856 4.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 5.7267 3.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 5.5057 2.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3139 4.7782 3.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 4.6693 1.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8074 3.9409 1.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 3.9333 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 3.2084 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 1.7240 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1825 1.1711 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2613 -0.3103 1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -1.0407 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 -2.5270 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9953 -3.0825 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6801 -2.7129 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0493 -3.2488 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0887 -2.8782 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8597 -3.3704 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 1.1227 -6.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 -0.0200 -6.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 0.2230 -4.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -0.6990 -7.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.3248 -5.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9074 -1.7762 -7.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0371 -2.3552 -6.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 -3.1224 -8.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2465 -4.1722 -7.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 -4.2767 -5.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 -3.1662 -5.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3842 -5.9165 -7.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 -6.2360 -7.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0682 -4.1203 -7.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 -3.5072 -6.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6447 -6.0891 -6.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 -5.6298 -3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3485 -3.1218 -4.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6824 -4.1695 -2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0213 -3.5365 -2.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -1.3087 -3.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -0.5354 -5.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9484 -1.3994 -4.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 0.8845 -3.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 1.5511 -2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 0.6404 -4.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1713 -0.8760 -4.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5225 -1.5352 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2186 -1.1451 -3.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 0.8593 -2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 -0.5011 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9921 1.7671 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 1.5408 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -0.6981 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 0.3159 3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 -1.0843 3.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 0.0191 5.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 -1.1414 5.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 1.6941 4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 0.5011 4.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 2.5866 5.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 1.5454 6.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 2.9096 7.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 0.6696 8.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -0.6011 7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -0.1923 7.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 2.6323 7.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 1.5056 6.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 2.8647 5.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 1.9436 3.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6381 0.8615 5.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 2.0484 5.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9367 3.0606 5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2699 3.1761 3.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 4.1452 3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6395 5.0047 5.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 4.0803 5.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 6.3103 3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 6.4713 4.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 5.0118 2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 6.4865 2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 5.3880 3.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4304 3.7774 3.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.2007 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 5.6858 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 4.3539 2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 2.8791 2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8047 4.9817 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 3.4572 -0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4077 3.2892 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 3.6104 1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 1.2557 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 1.5105 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 1.3804 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8251 1.6832 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 -0.5801 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3136 -0.6494 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 -0.6494 -0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 -0.7499 0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -2.8087 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -2.9540 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4442 -2.6757 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9147 -4.1662 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 -3.0517 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7329 -1.5891 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4276 -2.9557 -2.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0164 -4.3966 -1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0966 -3.2555 -0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1941 -1.7498 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8597 -3.7708 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1463 -4.2086 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6104 -2.5441 1.8759 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 1 0 15 16 2 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 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 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M CHG 2 29 -1 33 1 M END