HMDB0287532 RDKit 3D PC(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/20:4(5Z,8Z,11Z,14Z)) 141140 0 0 0 0 0 0 0 0999 V2000 1.7409 0.1942 -12.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7637 -0.0465 -11.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7403 -1.4632 -10.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 -2.0310 -10.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3515 -1.2883 -9.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -1.9378 -10.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -2.4833 -9.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -2.5075 -7.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3041 -3.9285 -7.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4657 -4.6171 -7.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 -3.8547 -5.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -2.8209 -5.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 -2.8092 -3.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -1.8061 -2.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0831 -0.6340 -3.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 0.5327 -3.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4768 1.5823 -2.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7053 1.8129 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 3.0577 -2.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5027 4.1449 -1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 4.2178 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 5.3227 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3936 5.3146 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 5.8264 1.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 4.8278 2.2994 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 4.7598 3.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5737 3.6587 3.9338 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4658 3.5372 2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3349 2.4108 3.2208 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 2.1487 2.0634 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6049 3.3157 1.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0551 1.9178 2.7732 O 0 0 0 0 0 1 0 0 0 0 0 0 1.1871 0.7390 1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.5027 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8266 -0.7557 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 -0.9913 -1.5733 N 0 0 0 0 0 4 0 0 0 0 0 0 4.1620 -0.8336 -1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -2.3691 -2.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -0.0967 -2.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 2.3767 3.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 1.5395 4.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 1.9459 5.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 0.2253 5.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4403 -0.4788 6.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 -1.8338 6.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 -2.5094 7.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1016 -3.6910 7.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 -4.4366 6.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 -4.7256 6.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 -4.3286 5.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -3.4992 4.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -2.1968 4.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 -1.5096 4.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 -1.9253 6.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 -0.9066 7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -0.2871 7.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 -0.5011 7.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 0.8139 7.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2967 0.5707 6.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9895 1.8326 6.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 2.4006 5.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 1.2668 -12.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 -0.4425 -13.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 -0.0320 -13.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 0.3082 -10.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 0.6227 -10.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -2.0696 -11.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -3.1210 -9.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 -1.1943 -8.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4092 -0.2373 -9.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -1.9289 -11.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 -2.9535 -9.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5723 -1.9110 -7.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 -2.0946 -7.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -4.4887 -7.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 -4.6578 -6.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -4.6820 -5.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 -2.0406 -5.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 -3.6612 -3.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 -1.8097 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 -0.5623 -2.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3995 -0.7193 -4.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 0.4882 -3.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 2.3837 -2.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4344 0.9792 -2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 1.7570 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7557 3.0100 -3.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0131 5.0347 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5063 3.3164 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8072 4.5283 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1091 4.9868 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2935 6.2916 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0567 5.7728 3.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 4.7462 4.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 3.8059 4.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1557 4.4182 2.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9017 3.3087 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3518 1.3594 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 0.2767 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -1.6256 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 -0.6024 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 0.2583 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 -1.1558 -1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 -1.4177 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6505 -2.6378 -2.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -2.4892 -2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -3.0748 -1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9657 -0.6541 -3.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 0.1460 -3.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 0.7945 -2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 -0.4053 4.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9803 0.4388 5.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6504 0.1588 7.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -0.5824 6.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2383 -1.6137 6.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 -2.2989 5.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -2.0344 8.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 -4.1265 8.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1776 -4.0945 5.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2882 -5.4678 6.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 -5.3622 7.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5559 -4.7230 5.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -3.5413 4.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -4.1317 3.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -1.6587 3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -0.4825 4.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 -1.9787 5.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -2.8642 6.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 -0.6874 7.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 0.4699 8.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -0.6396 8.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 -1.3606 6.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 1.5316 7.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 1.2058 6.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4955 -0.2122 6.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 0.2871 7.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 2.6222 7.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0695 1.6001 6.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4224 2.7483 5.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 1.6646 4.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1197 3.2701 4.8775 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 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 8 74 1 0 9 75 1 0 10 76 1 0 11 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 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 1 28 96 1 0 28 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 37102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 39110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M CHG 2 32 -1 36 1 M END