HMDB0286852 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 133132 0 0 0 0 0 0 0 0999 V2000 5.7831 -6.0768 -3.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2155 -5.7188 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 -6.6968 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 -7.4736 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -7.5111 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2937 -7.1948 1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8341 -6.1716 2.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 -5.1928 1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 -5.2495 2.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 -4.2147 3.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 -2.8985 2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2067 -2.4585 4.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7622 -1.3309 4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8692 -0.4121 4.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 0.9715 3.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 1.6439 5.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3518 3.0186 5.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 3.8679 4.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6255 3.6782 2.9623 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 4.8159 4.6756 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 5.5872 3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 4.8474 2.9664 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3014 5.8194 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 5.2656 1.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 6.1604 -0.1478 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6449 5.8046 -0.3649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 7.7909 0.3250 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.3693 6.1023 -1.6654 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 5.6743 -1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 5.5686 -2.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 4.6784 -3.6474 N 0 0 0 0 0 4 0 0 0 0 0 0 0.9380 5.3624 -4.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2885 3.7823 -3.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 3.8146 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1224 4.2223 3.6537 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 2.9106 3.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1767 2.0801 3.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 2.4947 4.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 0.9782 4.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 0.4709 5.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1732 0.6954 4.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5852 1.2240 3.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0138 1.3897 3.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4958 1.8784 2.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6397 2.3345 1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1416 3.5048 0.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 1.2317 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1009 1.0617 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5426 1.2186 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6812 1.5963 -2.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7845 0.5245 -3.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7992 -0.1979 -4.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4205 -0.0483 -3.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5412 0.3219 -4.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5829 -0.7046 -5.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 -2.0796 -5.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 -2.1577 -4.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -5.4353 -4.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6263 -5.9769 -4.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 -7.1706 -3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -5.7379 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -4.7003 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1912 -6.7841 -2.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 -8.1890 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 -8.6433 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 -7.0314 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0444 -7.8338 1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2133 -5.9957 3.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -4.2210 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -5.4558 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -6.2251 2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 -4.2673 3.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 -2.2112 2.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 -2.7494 2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 -3.0711 4.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 -1.0410 5.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -0.7302 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 -0.1989 4.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8258 1.5468 3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 0.7779 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7647 1.7258 5.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4113 1.0421 5.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3821 2.9215 4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 3.4697 6.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 6.4985 4.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6488 6.0112 3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 4.0678 2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3688 6.4810 2.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 6.5088 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 6.4215 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 4.7149 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 6.6054 -3.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 5.3485 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 6.4267 -4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 4.9253 -5.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1426 5.1675 -5.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1952 2.9690 -3.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 3.3008 -2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 4.2789 -3.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2228 3.1752 -4.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 3.1992 -3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3672 4.4676 -4.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 2.9803 4.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 2.8787 5.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 0.6115 3.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 0.6234 4.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -0.6201 5.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 0.9235 6.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0034 0.3866 5.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 1.5081 3.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7181 1.0711 4.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5713 1.9667 2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 2.4598 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7759 3.8982 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 1.5314 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4175 0.2901 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8044 0.7717 0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6300 1.0654 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 2.4813 -3.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 1.8763 -2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8071 0.3606 -3.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0234 -0.9482 -4.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2135 0.7108 -2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0582 -1.0689 -3.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9016 1.3264 -5.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 0.5015 -4.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -0.8092 -6.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 -0.3388 -6.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8602 -2.4685 -4.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -2.7402 -6.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -2.3740 -5.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 -2.9889 -4.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -1.1947 -4.5283 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 6 23 88 1 0 23 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 32 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 34102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 57133 1 0 M CHG 2 27 -1 31 1 M END