HMDB0285873 RDKit 3D PC(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/15:0) 134133 0 0 0 0 0 0 0 0999 V2000 17.4167 1.3178 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3831 2.0118 -0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3053 3.4094 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2183 3.9716 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9288 3.2613 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9662 3.9733 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8916 4.5406 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4783 4.5680 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 3.8979 1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2031 4.5823 0.7364 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1295 2.4699 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1255 1.9953 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0633 0.6141 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1888 -0.0125 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0192 0.5510 -1.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7274 1.9469 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 2.4856 -0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 1.7671 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 1.9723 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 0.9846 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 -0.4307 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9028 -1.1825 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 -1.2199 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.8256 -1.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 -1.6663 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8626 -1.7283 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -2.1881 0.3779 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1801 -3.3890 1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1544 -4.4406 0.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0498 -5.8221 -0.1531 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2972 -6.1992 -1.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 -6.0366 -1.2240 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9665 -7.1693 0.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -8.3222 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 -9.4305 1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7835 -10.6987 0.8582 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2851 -11.7732 1.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 -10.9377 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -10.8444 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1234 -2.4165 -0.0073 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2716 -1.7662 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 -0.9007 1.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5912 -2.1344 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7694 -1.2841 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8957 0.0275 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0537 1.1841 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9543 1.8541 1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0826 2.3917 1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9351 3.4473 1.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7249 3.0773 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6213 4.1856 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5842 4.6221 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6436 5.5913 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3785 6.9652 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6533 7.2275 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5857 8.7782 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3763 1.8325 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1689 0.2662 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4357 1.4818 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8106 2.0338 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4934 1.4097 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2390 3.9958 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2438 5.0411 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9516 2.2113 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5785 3.1784 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1420 4.0371 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2066 5.0602 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2016 4.2019 2.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 5.6622 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 3.9737 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3445 4.4492 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 1.8101 1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 2.7047 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 0.0010 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4054 -1.1114 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1508 0.2728 -2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -0.0904 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 2.6798 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5353 3.5938 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5324 2.3303 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 0.7576 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 3.0311 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 1.2993 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -0.6906 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8476 -0.8899 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 -0.7741 0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 -2.2398 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -2.4884 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0546 -0.7076 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8757 -1.3929 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1661 -2.9232 1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 -3.3972 2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 -8.2103 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8044 -8.6528 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 -9.5446 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -9.1531 2.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -11.5175 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -12.7493 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 -11.8243 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 -10.3858 -1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 -12.0335 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 -10.6254 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -11.8496 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7102 -10.0361 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -10.8981 1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5325 -2.2515 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 -3.2004 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6529 -1.9070 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9223 -1.2597 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 0.3541 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7974 -0.1943 -1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9281 0.9082 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1879 1.9404 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1995 1.3570 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3066 2.8077 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6227 2.8487 2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7207 1.5734 2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3492 4.4110 1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6863 3.7903 2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4797 2.2583 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1454 2.6828 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0050 4.9057 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1900 3.6374 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0131 4.9637 1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1052 3.6924 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3388 5.1542 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4120 5.6043 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8588 7.5432 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4047 7.4885 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1505 6.8635 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6009 6.8849 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9370 8.9254 -2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2051 9.1730 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6079 9.0621 -1.8516 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 1 28 91 1 0 28 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 37 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 39105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 32 -1 36 1 M END