HMDB0260914 RDKit 3D PE(16:0/PGJ2) 125125 0 0 0 0 0 0 0 0999 V2000 12.0499 2.4643 -4.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4437 3.8923 -4.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4593 4.5347 -2.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1859 4.6325 -2.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5162 3.3532 -1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3534 2.5614 -0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8073 1.3181 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3679 0.1945 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2014 0.3153 -2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 0.6809 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6245 -0.3770 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 -0.1626 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 -0.0499 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -1.2420 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 -2.5084 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -2.4478 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6133 -3.4182 1.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 -1.4392 1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 -1.1969 2.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 -2.0920 2.3154 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8147 -3.3898 3.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5605 -3.2085 4.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 -4.6430 5.0007 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9185 -4.5084 6.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -5.8478 3.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4316 -5.1399 5.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 -4.3576 6.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -4.8123 7.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 -3.9822 8.8526 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -2.1612 1.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3553 -1.6153 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8593 -0.9843 1.9099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1852 -1.6491 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 -2.6346 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -2.3013 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3355 -3.2449 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5895 -2.8985 0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0521 -1.5296 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9256 -1.3416 -0.4917 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1133 -2.2178 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0553 -1.6527 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5405 -0.3653 0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7968 0.2763 1.8607 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5766 0.0358 -0.2653 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3568 0.4784 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1526 1.5639 -2.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0423 1.8917 -3.3312 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5969 0.7578 -3.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0741 2.8756 -2.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0447 3.2924 -3.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0606 4.2624 -3.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3555 5.5027 -2.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4167 6.4722 -2.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7034 2.0120 -5.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0205 2.3048 -4.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2672 1.8629 -3.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6761 4.4581 -4.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4346 4.0780 -4.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9354 5.5696 -2.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2212 3.9628 -2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4347 5.2626 -2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3553 5.2358 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2598 2.7790 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5361 3.6515 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5216 3.2453 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4145 2.4657 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5934 0.8735 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0098 1.6204 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -0.7726 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2507 -0.0581 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9803 -0.7469 -2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2756 0.9019 -2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1143 0.6805 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9681 1.6685 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5259 -0.3851 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6687 -1.4108 -0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3337 -0.9921 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 0.7387 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1427 0.8531 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2978 0.1887 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6538 -1.0472 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2876 -1.3783 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6462 -2.7853 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3562 -3.3904 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 -1.1994 3.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -0.1305 2.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 -1.5059 3.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1338 -4.1894 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -3.7030 3.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -5.9081 3.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 -4.3862 7.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0924 -3.3025 6.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 -5.8589 7.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -4.6146 6.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4654 -3.0091 8.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 -4.3895 9.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 -0.6242 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 -1.8926 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8628 -2.5537 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9211 -3.6612 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5667 -2.5164 1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4496 -1.2415 1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1197 -4.3192 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3687 -3.6747 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3073 -0.7387 0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7384 -1.2234 1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3475 -1.4032 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2281 -3.1694 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0337 -2.0438 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8479 0.7615 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1963 -0.1759 -1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3512 2.2121 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4218 2.4262 -4.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5389 0.6408 -3.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4883 3.7284 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6039 2.3853 -1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5245 3.7674 -4.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6274 2.4044 -4.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5892 3.7627 -2.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8383 4.5015 -4.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6797 5.2676 -1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8648 6.0246 -3.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2616 6.4600 -3.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9396 7.4715 -2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7545 6.2381 -1.2682 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 1 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 20 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 44 39 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 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 25 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 6 40108 1 0 41109 1 0 44110 1 1 45111 1 0 46112 1 0 47113 1 6 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 53125 1 0 M END