HMDB0286011 RDKit 3D PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(17)) 133132 0 0 0 0 0 0 0 0999 V2000 1.2718 3.6558 2.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 4.5690 3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 4.9776 4.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 3.7559 4.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2096 4.1449 5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9626 2.8441 5.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3207 3.1815 6.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4392 2.8143 5.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 1.9663 4.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4049 2.6936 3.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8037 1.9227 2.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 1.2399 1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 2.0320 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3174 3.1769 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 3.9199 -0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5922 3.1170 -1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 2.1128 -2.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3709 3.3857 -2.4772 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 2.7696 -3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 1.3226 -3.3003 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9011 0.9610 -1.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 1.4932 -0.9376 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 0.9064 0.4977 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3920 1.7317 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 0.9561 0.3661 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3989 -0.7031 0.7603 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 -1.4840 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 -2.9484 0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 -3.2543 2.2220 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.4173 -2.1288 3.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4587 -4.2467 2.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4634 -3.8828 1.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 0.7536 -4.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.2186 -5.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 -0.5945 -4.9446 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -0.8027 -6.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9068 -1.4014 -5.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.4021 -5.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1586 -1.1187 -5.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -1.1626 -3.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 -0.4806 -2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 -1.3231 -1.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -1.1656 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -0.1656 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 -0.3565 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8445 -1.4084 1.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -2.7651 1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 -3.7951 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 -3.7232 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3717 -2.5060 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1164 -2.6593 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0639 -3.7194 -0.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3092 -3.3358 -2.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0185 -2.7795 -2.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4877 -3.7774 -3.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 3.9277 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 2.6187 3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2716 3.8183 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 5.5042 3.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8829 4.0817 4.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 5.5676 5.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 5.5572 3.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 3.1076 3.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 3.2309 5.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 4.7444 4.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 4.7352 6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4101 2.4073 6.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 2.1401 4.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 3.8272 7.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3619 3.1737 6.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3231 1.1312 4.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7338 1.4772 4.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9131 3.6738 3.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3634 3.0259 3.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5094 1.0970 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5434 2.5483 1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 0.3414 1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4293 0.7560 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 1.3398 -0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 2.4555 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1285 2.8228 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8137 3.8902 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 4.2813 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 4.8518 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 3.3301 -3.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.9571 -4.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 0.8288 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0015 -0.1637 -1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 1.2214 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2941 -1.4130 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4382 -1.0774 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 -3.3834 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -3.5069 0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 -1.4991 3.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 -1.5402 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6971 -2.5152 4.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -4.1621 2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -5.2872 2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -4.1857 4.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 -4.3617 2.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1534 -3.0718 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2656 -4.6270 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 -1.6293 -6.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 -0.0789 -7.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 -1.7534 -6.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 -2.3005 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 0.2645 -4.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 0.2480 -6.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -1.6412 -6.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6384 -1.7169 -3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 0.3061 -3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 0.1719 -2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -2.1689 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7116 -1.8694 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4121 0.4845 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2152 0.6835 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 0.6123 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8159 -1.2467 1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 -2.9724 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0936 -3.0509 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 -4.8864 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -4.6677 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8247 -1.5747 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1540 -2.3645 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 -1.7595 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6140 -3.3509 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 -3.3661 -3.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 -4.4570 -2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2666 -2.6602 -1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0827 -1.8145 -3.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7715 -3.4723 -4.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9525 -4.7934 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4132 -3.9313 -3.7226 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 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 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 19 86 1 0 20 87 1 1 21 88 1 0 21 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 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 50124 1 0 51125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M CHG 2 25 -1 29 1 M END