HMDB0286594 RDKit 3D PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 139138 0 0 0 0 0 0 0 0999 V2000 -2.2213 -2.5556 1.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9638 -3.8972 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2735 -3.6966 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6165 -4.2972 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7359 -5.2277 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -6.5372 -1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7386 -7.1499 -2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3744 -6.7167 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 -6.5614 -4.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8732 -5.6004 -5.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -4.2663 -5.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -3.7656 -4.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 -2.6259 -4.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4331 -1.7427 -4.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8655 -1.6445 -2.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8928 -0.5358 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 0.7190 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 1.8206 -1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8452 2.1309 -0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0931 3.2729 -0.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6795 1.1510 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3229 0.5941 0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 1.6355 1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9956 2.0253 2.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 2.1992 0.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 3.1631 0.1362 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9237 4.4842 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 5.3132 -0.3622 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 6.6124 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 7.1244 -1.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 7.3587 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5152 8.2077 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2095 7.3933 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 6.3128 2.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 5.5674 3.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9103 4.4444 3.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 3.4689 2.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 2.2565 2.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 1.7662 3.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 2.2290 4.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 1.4920 6.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 0.3398 6.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 -0.4796 5.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9383 -1.8140 4.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 -2.9527 5.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -2.7255 7.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -2.3986 6.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 2.5892 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 2.3434 -1.8963 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7098 1.7107 -2.7268 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9980 2.6280 -3.9189 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 0.1570 -3.2790 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0853 1.6858 -1.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 0.5927 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 0.6643 -1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 -0.4161 -1.3915 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7541 -1.5414 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -0.9262 -2.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3771 0.0363 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 -1.8558 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -2.7005 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1191 -2.0966 0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 -4.1275 2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 -4.6092 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9857 -3.0085 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6094 -4.1213 -0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -5.4707 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 -4.7458 -2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7814 -6.9329 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2942 -8.1060 -2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 -5.8947 -3.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 -7.6414 -4.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1555 -7.4952 -4.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8315 -5.8021 -5.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 -3.5789 -5.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 -4.1841 -6.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1979 -4.2712 -4.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 -2.3371 -3.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2477 -1.9680 -4.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1151 -0.6947 -4.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2230 -2.5587 -2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2495 -0.6453 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 0.8434 -3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 2.7405 -2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9187 2.5671 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0309 3.9188 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9409 1.7471 1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4626 0.4125 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 -0.1029 1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9663 0.0834 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3893 3.3943 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 4.8712 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 4.3220 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 6.6883 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 8.0233 -1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 8.6789 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 9.0482 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 8.0764 2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 6.8752 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2669 6.8076 2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3067 5.6692 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6778 6.1716 4.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 4.9901 3.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 4.1188 4.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9007 5.0002 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2814 4.0694 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8475 3.2901 2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 1.6136 1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 0.7698 3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6004 3.2792 5.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0638 2.3904 4.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 1.9926 7.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9566 0.0413 7.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0172 0.0786 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3681 -0.7404 5.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 -2.1813 4.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 -1.7845 4.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -3.8504 5.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 -3.2008 6.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -3.7326 7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 -2.0119 7.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 -1.3174 6.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -2.7158 7.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -2.9837 5.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 3.3234 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 1.6283 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 0.6654 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 -0.3617 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 1.6196 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8065 0.6382 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5426 -1.1254 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6586 -2.1764 -0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -2.0804 -0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1425 -1.6056 -2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -1.5445 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -0.1331 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 -0.7123 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3448 0.9497 -0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 0.2938 -1.9883 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 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 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 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 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END