HMDB0288508 RDKit 3D PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,10E,14Z)-OH(12S)) 141140 0 0 0 0 0 0 0 0999 V2000 7.9116 6.9786 -1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5771 6.2169 -1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8376 4.8580 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 3.7749 -1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1331 3.8035 -2.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8997 3.0104 -3.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 1.9558 -3.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9727 1.4655 -4.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 0.0748 -4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1563 -0.9870 -4.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8514 -0.9651 -6.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 -1.7544 -6.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 -1.3636 -7.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 -0.0328 -7.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 0.7790 -7.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 0.6020 -6.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 -0.4839 -5.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 -0.3943 -4.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 0.5979 -3.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1126 1.9759 -3.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 2.7959 -3.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 2.2161 -4.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 2.5173 -5.4052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 1.3064 -3.5953 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 0.6819 -4.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 -0.1812 -2.9853 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0109 -1.0379 -3.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1481 -0.3099 -3.5595 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4652 -1.2548 -3.9499 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.6246 -0.4592 -4.5388 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0135 -2.3641 -5.1716 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.0496 -2.1319 -2.6423 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8985 -1.5194 -1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4028 -2.3438 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -1.6993 1.0082 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.8302 -1.7780 1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5102 -0.2856 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1062 -2.2259 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0853 0.5369 -1.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 0.2828 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -0.7259 -0.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 1.0790 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 0.6243 1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 0.4931 1.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 0.0878 3.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -1.0259 3.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 -2.0774 2.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 -2.4963 2.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -1.9892 3.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -0.8449 4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2475 -0.4160 4.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 0.7614 5.3420 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6184 1.7849 4.6871 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8037 0.5674 6.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 0.2208 6.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 -0.8731 7.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6166 -1.9360 7.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -3.2741 7.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 -3.7586 7.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 -3.9361 8.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -4.9408 9.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6678 6.2524 -1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8528 7.8446 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 7.2804 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9406 6.6984 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 6.3733 -2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 4.7298 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8946 2.8113 -1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7865 4.8700 -3.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9032 3.6331 -3.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0514 3.3210 -2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 1.3887 -3.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6048 1.5284 -5.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9094 1.9983 -4.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4469 -0.0081 -3.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3506 -1.9524 -4.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -1.5151 -6.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8339 -0.0051 -6.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -2.8409 -6.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8481 -2.1983 -7.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -0.1682 -8.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 0.6005 -7.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2185 1.7867 -8.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4665 1.4339 -6.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 -1.3688 -5.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.9981 -6.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5571 -1.4122 -3.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 0.4091 -2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 2.4336 -3.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3701 2.2371 -4.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 3.8510 -3.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2754 2.6781 -2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0431 1.3736 -4.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 0.0086 -4.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -0.9297 -2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 -1.8725 -2.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6917 -1.4966 -4.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8356 -1.3090 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 -0.5046 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5097 -2.5432 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 -3.2989 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6824 -1.5780 2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 -2.7492 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2193 -1.0246 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4148 -0.1003 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5474 0.2390 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6572 0.2072 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5891 -3.0102 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3613 -1.3861 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0204 -2.5927 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5837 2.1620 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 1.0945 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5158 1.4201 2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7366 -0.3235 2.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -0.1564 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 1.5089 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 0.7943 4.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 -1.1875 4.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 -3.0456 3.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -1.9054 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 -3.4044 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9217 -2.5322 2.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 -0.2667 4.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1203 -0.9637 4.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 1.1486 5.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 2.6507 5.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 -0.0544 7.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 1.5976 7.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 0.9814 6.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2609 -0.9231 7.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 -1.7401 7.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 -2.0416 8.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 -3.9898 7.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 -3.2229 6.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 -4.7988 6.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 -3.1915 6.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 -2.9707 9.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5729 -4.3507 8.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -5.9781 8.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 -4.9668 10.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2618 -4.6917 9.4694 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 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 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 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 1 27 96 1 0 27 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 36102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 38110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 1 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 31 -1 35 1 M END