HMDB0287059 RDKit 3D PC(20:4(5E,8Z,12Z,14Z)-OH(11R)/20:1(11Z)) 145144 0 0 0 0 0 0 0 0999 V2000 6.1129 3.2052 5.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5162 2.7378 4.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 2.5230 3.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 1.4894 3.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 1.1954 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 0.2002 1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 0.3368 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 1.5734 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 1.7407 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 0.6310 -1.3437 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9435 0.3960 -0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 0.9563 -2.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 1.1748 -3.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 2.2665 -4.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 3.4689 -4.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 3.8956 -5.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 3.1925 -6.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8235 3.6450 -7.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 2.7894 -7.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 1.4273 -7.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.4407 -7.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 0.1493 -7.2884 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 -0.2076 -5.9918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -1.1415 -5.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 -1.7602 -4.1674 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8503 -0.7704 -3.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.0546 -2.5216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4132 1.1024 -1.8697 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9766 1.9270 -3.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 0.0643 -1.2338 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7718 1.9967 -0.6477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 3.1370 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 3.8106 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 5.0165 0.0889 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8773 6.0369 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 4.9684 -0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 5.5005 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.6655 -3.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7746 -4.0007 -3.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 -4.3167 -4.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 -5.0582 -2.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 -4.9555 -0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -6.2396 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8421 -6.4173 1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 -6.3005 1.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -6.5851 3.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -5.7779 4.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -4.2962 4.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 -3.6746 4.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -3.8550 4.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 -2.8473 4.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -1.4105 4.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 -0.5859 3.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 0.8695 3.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1938 1.0545 4.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 2.5281 4.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 2.7134 4.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 2.1948 3.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3665 2.4090 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 2.2881 5.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 3.7706 4.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1055 3.8501 6.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7189 1.8168 5.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 3.5042 5.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7011 2.1641 3.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5274 3.4995 2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 1.7710 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9725 0.5328 3.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8276 2.0731 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7773 0.6752 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8111 -0.7707 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -0.5110 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 2.3979 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 2.6947 -1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -0.2914 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -0.5707 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 1.7111 -2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 0.0141 -2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 0.3387 -4.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7645 2.2700 -5.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 4.3142 -4.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 3.3978 -3.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 4.7886 -4.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 2.3230 -6.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 4.6335 -6.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 3.9852 -8.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 3.3712 -8.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 2.8110 -6.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8387 1.0282 -8.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 1.5238 -8.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2277 -0.6516 -4.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 -1.9314 -5.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 -2.3451 -4.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3799 -0.0618 -4.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6906 -1.2461 -2.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 2.7738 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7112 3.7615 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 4.0065 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 3.1107 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9679 5.9768 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 5.7884 0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 7.0430 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 4.0773 -0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8231 5.8443 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 5.0997 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 6.5927 1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 5.4320 2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 4.9589 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 -6.0811 -2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1267 -5.1616 -2.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8799 -4.1105 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -4.9546 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -6.4290 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4615 -7.0854 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 -7.4518 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 -5.7434 1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 -7.1091 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -5.3463 1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 -7.6773 3.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3061 -6.3751 3.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 -6.0422 3.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5582 -6.1126 5.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -3.8399 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6199 -4.1031 4.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 -4.2538 5.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -2.6721 5.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -4.8842 4.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6684 -3.1586 4.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -1.2446 5.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 -1.0284 5.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 -0.6623 2.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 -0.9343 2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 1.3933 2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 1.3297 4.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8651 0.5711 3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 0.5905 5.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 3.0074 3.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 2.9926 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 2.1502 5.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 3.7752 4.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 2.8154 2.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 1.1284 3.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2669 2.4265 5.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9555 1.5310 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8232 3.3386 3.9692 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 2 0 9 10 1 0 10 11 1 0 10 12 1 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 2 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 6 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 0 24 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 35100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M CHG 2 30 -1 34 1 M END