HMDB0286815 RDKit 3D PC(18:3(10,12,15)-OH(9)/18:3(9Z,12Z,15Z)) 131130 0 0 0 0 0 0 0 0999 V2000 2.5028 2.1183 -10.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6847 1.2601 -9.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 2.0469 -8.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 2.1985 -7.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 1.5255 -6.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 0.6272 -5.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 0.8113 -3.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 1.9390 -3.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 2.6945 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 2.9015 -1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 2.3928 -0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2197 3.4966 0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 4.5584 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 5.5877 -1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 6.5520 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 7.5810 -0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0595 7.1657 -1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 6.7292 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 7.5707 0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 5.4892 0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 5.0543 1.4683 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7337 4.8157 2.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 4.3773 3.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 3.1431 4.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 2.1989 3.3157 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 2.8556 5.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 1.3492 5.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 0.7460 5.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0562 -0.8052 5.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3186 -1.3465 5.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -2.7726 5.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 -3.7974 4.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -4.0832 4.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6503 -3.0624 3.7313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 -5.2668 3.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9827 -6.1279 3.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -7.2423 2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8079 -8.1298 2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6267 -9.2425 1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 -9.0949 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3593 -10.0103 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -9.7525 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -9.7459 0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5342 4.0089 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 2.8770 0.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 1.7694 -0.0047 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0771 1.4170 1.1737 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1732 2.4728 -1.1987 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.5133 0.3650 -0.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.0160 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8126 -1.2976 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 -1.7545 0.0684 N 0 0 0 0 0 4 0 0 0 0 0 0 0.7216 -1.0907 1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 -1.6839 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2072 -3.1715 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9244 2.3723 -11.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 2.9807 -9.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3761 1.4964 -10.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.5978 -8.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 0.5941 -9.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 2.5827 -8.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 2.8469 -6.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 2.1948 -5.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 0.7890 -6.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 -0.2476 -5.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 0.1194 -3.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 1.5526 -2.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 2.6696 -4.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 3.1193 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 3.4722 -0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9633 1.8470 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0361 1.6778 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1345 2.9771 0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 3.8604 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 5.1309 -0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 4.0885 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 6.2512 -2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 5.2616 -2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 7.0157 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 6.0169 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 8.3838 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 8.0750 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 8.0455 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 6.3426 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 6.0173 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 5.7753 2.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 4.1288 2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 3.3368 6.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2974 3.3240 5.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 1.1856 6.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 0.8760 4.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 1.0213 4.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 1.0793 6.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4968 -0.9928 6.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 -1.1421 5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8298 -0.8516 6.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8784 -0.9386 4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 -3.1451 6.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -2.8367 6.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7257 -4.8038 5.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 -3.6093 4.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -4.3952 5.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6277 -3.0874 3.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -5.3838 2.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 -6.0133 3.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9449 -7.3219 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 -8.0368 2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 -9.2818 0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -10.1798 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -8.1786 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5048 -10.9040 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -8.7676 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1172 -10.5546 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9951 -9.4678 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -10.7312 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 -8.9444 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 4.4753 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 3.7580 1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -0.1084 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.7801 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 -1.1483 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 -2.0531 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.6142 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -0.0270 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -1.2803 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 -2.3482 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -0.6228 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -2.0709 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1437 -3.7610 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0577 -3.5548 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -3.3399 0.9997 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 1 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 21 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 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 1 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 53123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 M CHG 2 48 -1 52 1 M END