HMDB0008113 RDKit 3D PC(18:1(9Z)/20:3(8Z,11Z,14Z)) 140139 0 0 0 0 0 0 0 0999 V2000 6.4663 -8.3862 6.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1341 -7.1134 6.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8734 -6.4052 5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9799 -6.0277 4.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 -5.2758 3.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 -4.0420 4.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9825 -2.8627 3.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9885 -2.6994 2.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 -1.9124 3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 -0.7753 2.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1193 -0.0988 1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5739 1.2316 1.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1268 2.3497 1.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 2.4732 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9361 3.1757 1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 3.3806 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 4.0151 0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 4.3425 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 4.9292 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 5.3047 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9998 6.4414 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9216 4.4574 0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 4.8737 -0.3971 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1070 4.8765 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 3.5251 1.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7512 3.0792 2.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4251 3.9845 2.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7359 1.6978 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6075 1.2725 3.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2431 1.2649 3.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1033 0.3054 1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6838 0.2987 1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -0.6894 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1741 -0.7774 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 0.5389 -0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6386 0.7544 -1.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -0.2259 -3.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 0.3189 -4.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -0.6314 -5.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3553 -0.0884 -6.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 -1.0473 -7.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -0.5522 -8.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 -0.4537 -8.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -1.7980 -7.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7831 3.9469 -1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 2.7342 -0.7466 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8327 1.6397 -1.7278 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5325 2.3582 -2.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0933 0.8860 -0.8369 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7965 0.4516 -2.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2652 -0.8321 -1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3288 -1.8678 -2.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 -3.2104 -2.1229 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.1295 -3.4091 -2.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0069 -4.1066 -3.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -3.5933 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 -8.7637 7.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 -8.2776 5.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2672 -9.1611 6.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4524 -6.3920 7.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -7.3872 7.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7673 -6.9796 5.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 -5.4395 6.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5119 -6.9426 4.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1623 -5.3798 4.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2611 -5.3046 2.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6599 -5.9698 3.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0614 -4.1587 4.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 -1.9503 3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4966 -2.2485 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 -3.6645 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.3478 3.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -0.2259 3.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0657 -0.5572 1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4764 -0.0219 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3037 1.2275 2.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 3.2949 1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8121 1.5951 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5691 3.1776 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 2.5022 1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 4.1285 1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 2.4483 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 4.0604 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 3.3218 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 4.9364 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1252 3.5725 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 5.1704 -0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 5.8608 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 4.2550 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1297 5.9146 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6307 5.5427 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0997 5.2381 0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8582 0.9479 2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6727 1.5516 3.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5617 1.8081 4.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8308 0.2051 4.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 2.2245 2.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 0.8720 3.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2869 -0.7022 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 0.4593 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 1.2893 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 -0.0557 2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8138 -1.6863 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2382 -0.3824 -0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -1.1372 0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1299 -1.5170 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 1.3837 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 1.8004 -2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 -1.2467 -2.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6617 -0.1867 -3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3459 0.4312 -3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 1.3013 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 -0.6654 -5.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7459 -1.6093 -4.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9892 0.8966 -6.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3685 0.0561 -5.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -2.0263 -7.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3736 -1.0400 -7.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 0.4891 -8.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 -1.1642 -9.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4161 -0.1431 -8.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8937 0.2827 -7.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3072 -1.6940 -7.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3081 -2.5267 -8.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6607 -2.2355 -6.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7662 4.3742 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 3.8452 -2.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2638 -0.9609 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 -0.7977 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4261 -1.8064 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2689 -1.6840 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3672 -3.0167 -3.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7725 -2.9705 -1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2753 -4.5193 -2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 -3.7095 -3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9266 -5.0844 -2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6053 -4.2431 -3.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7027 -4.6341 -0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 -3.6103 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8057 -2.9920 -0.0059 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 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 M CHG 2 49 -1 53 1 M END