HMDB0289089 RDKit 3D PC(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/DiMe(11,5)) 150150 0 0 0 0 0 0 0 0999 V2000 3.3382 4.6161 -3.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 3.8354 -2.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6568 4.0710 -3.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 3.1538 -4.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 1.6584 -4.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 1.2580 -5.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0028 0.5442 -6.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9278 0.0021 -5.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 -1.4959 -5.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -2.3242 -5.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 -1.9612 -6.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 -2.9084 -5.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -2.6119 -4.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 -1.2635 -4.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 -1.0307 -3.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -2.0174 -3.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 -1.9270 -3.7319 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 -1.6206 -1.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5029 -2.5930 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 -3.3275 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 -3.2932 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 -2.8468 2.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -2.8755 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 -3.8781 3.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 -1.9161 3.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7947 -2.1702 4.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9001 -1.2045 4.0763 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9273 -1.7002 5.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 -2.9737 4.6918 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4465 -3.6512 5.7334 P 0 0 0 0 0 5 0 0 0 0 0 0 4.4320 -2.9578 7.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 -3.5343 5.0214 O 0 0 0 0 0 1 0 0 0 0 0 0 4.0876 -5.2935 5.8399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 -5.4227 6.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 -6.8706 6.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 -7.4453 5.7778 N 0 0 0 0 0 4 0 0 0 0 0 0 2.3850 -8.8942 5.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 -7.2527 5.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8136 -7.0280 4.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 0.0970 4.4248 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8445 1.2052 3.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.9414 2.6903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 2.6174 3.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 3.2172 2.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 2.7566 2.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 1.4254 2.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 0.5634 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 0.9877 -0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4577 2.0988 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 2.5600 -2.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 3.4176 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 3.2830 -2.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7799 3.3667 -1.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4557 2.5063 -0.7517 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9271 3.0028 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7194 2.2511 1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1701 2.2257 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 3.3935 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 4.3322 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2017 3.6145 -1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5042 4.3307 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 5.2954 1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 4.5564 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 5.8363 -1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 4.9392 -2.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 5.5296 -4.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 3.9723 -4.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 4.3261 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1673 2.8064 -2.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9318 5.1422 -3.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 3.5459 -4.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1686 1.2437 -3.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4072 1.4678 -3.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7367 1.6130 -6.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 0.2830 -7.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9878 0.3465 -5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 0.2020 -4.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 -1.9137 -5.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5613 -3.4022 -6.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6068 -0.9220 -6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 -2.2164 -7.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 -4.0026 -5.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6086 -3.4521 -4.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 -0.3998 -4.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4687 0.0173 -3.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 -3.0508 -3.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 -1.3279 -4.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 -1.5041 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0622 -0.6295 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4624 -2.7193 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1133 -4.0362 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 -4.3830 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2434 -2.8093 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9149 -1.8278 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 -3.5296 2.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 -3.2382 3.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2671 -2.2273 5.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 -1.2258 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -1.6584 6.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -1.0543 5.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 -5.1269 7.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -4.7587 6.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -7.4207 7.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -6.9347 7.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -9.2608 6.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 -9.0406 5.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -9.3513 5.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -7.2516 4.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1512 -8.0956 6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -6.3135 6.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -7.2644 4.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3948 -7.6892 3.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 -5.9993 4.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 3.1194 4.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 2.7983 4.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7539 4.3253 3.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 3.2848 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 3.5209 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 3.0342 3.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0328 1.4610 1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 0.8038 3.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 -0.3758 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 0.0899 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4329 0.9543 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.0615 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 1.7032 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 2.9342 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 2.9278 -2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3643 1.5518 -2.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 4.5393 -2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 3.5696 -3.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3251 2.2369 -3.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5652 4.0173 -3.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3569 1.1624 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4707 2.6883 2.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6382 1.4781 1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 1.6451 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9269 3.9827 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1115 3.0154 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0113 4.8804 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7374 5.1405 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9563 2.8218 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5817 4.4028 -2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2746 3.1849 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 5.3381 2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5508 4.8395 2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0539 6.2532 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 5.9205 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7201 6.6780 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 6.0092 -2.1680 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 2 0 15 16 1 0 16 17 1 0 16 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 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 55 61 2 0 61 62 1 0 61 63 1 0 63 64 1 0 63 53 2 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 6 28 99 1 0 28100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 37105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 39113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 62145 1 0 62146 1 0 62147 1 0 64148 1 0 64149 1 0 64150 1 0 M CHG 2 32 -1 36 1 M END