HMDB0008233 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 10.1134 -1.4044 2.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6703 -0.2497 1.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7729 -0.6615 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7746 -0.7188 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3928 -0.3501 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5326 -1.5248 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 -1.5379 -1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 -0.3677 -1.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1107 -0.7557 -3.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 -0.6928 -4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6873 -0.2606 -3.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 0.9357 -4.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 0.8946 -4.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 -0.2157 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1315 0.2372 -4.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 -0.8978 -4.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -1.4782 -5.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -2.6211 -5.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 -3.3697 -6.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 -2.8768 -4.3467 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7163 -3.8914 -3.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 -3.6804 -2.4040 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7779 -2.4351 -2.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0309 -1.9987 -1.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0302 -0.7288 -0.8217 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0530 -0.5367 0.7301 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6226 -1.1890 -1.2866 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.7475 0.7436 -1.4545 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7973 0.9022 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6668 2.3416 -2.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3446 3.2882 -1.8621 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1824 4.5757 -2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1223 3.0567 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4665 3.4898 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6983 -3.6406 -1.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 -4.6236 -1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8426 -5.6600 -0.7876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -4.4842 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8803 -4.3518 -1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 -4.2458 -1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 -3.1716 -0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0133 -3.0835 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 -1.8985 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6898 -1.8135 2.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4762 -0.7283 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 0.2566 4.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5186 0.4191 4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 0.4027 5.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 0.5782 6.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 0.5574 7.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 -0.7517 8.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -0.6891 9.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0982 -1.7473 2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2045 -1.0776 3.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3543 -2.2121 2.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7752 0.1924 2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5248 0.5037 1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7882 -0.9446 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 -1.0449 -1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 0.5646 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4195 -0.0594 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 -2.4535 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -2.4635 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2009 0.1217 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8904 0.4469 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 -1.0836 -3.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 -0.9771 -5.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -0.0367 -2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 -1.1442 -3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 1.8127 -4.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9218 1.8137 -5.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 -1.1935 -4.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 -0.3548 -6.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 0.5313 -3.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 1.0759 -5.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 -0.4933 -4.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -1.7323 -3.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5358 -1.8808 -6.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -0.7647 -6.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4106 -4.9102 -4.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7163 -3.6849 -4.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4842 -4.5866 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7120 -2.6658 -2.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2429 -1.6627 -2.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 0.4849 -2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1541 0.3609 -3.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6108 2.6355 -3.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8903 2.3394 -3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1488 4.9786 -2.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 4.3384 -3.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5818 5.2729 -1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6282 4.0092 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3739 2.4866 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 2.5577 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1961 3.1297 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3812 2.9857 -1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7204 4.5652 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 -3.6897 0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 -5.4351 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 -3.4956 -2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 -5.2401 -2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0357 -5.2397 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 -4.1993 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -2.1499 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -3.2560 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -2.9142 1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5144 -3.9709 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6153 -0.9719 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 -2.1346 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 -1.8165 2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 -2.8140 3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -0.7553 3.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6179 1.0261 4.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1608 -0.2854 3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 1.4585 3.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 1.1599 6.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6006 -0.6185 6.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -0.1556 5.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 1.5835 5.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 1.4249 8.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 0.6986 7.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 -1.5592 7.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 -0.9544 8.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 -1.6301 10.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 -0.6667 10.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 0.2073 10.0246 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 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 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 1 23 83 1 0 23 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 32 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M CHG 2 27 -1 31 1 M END