HMDB0012550 RDKit 3D 12-Oxo-20-carboxy-leukotriene B4 54 53 0 0 0 0 0 0 0 0999 V2000 10.3188 0.9890 -1.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1541 1.0619 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 1.4271 -1.8594 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9330 0.7643 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5165 0.7785 0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6415 -0.2288 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2331 -0.1348 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 1.1815 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 1.3740 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 0.3250 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 0.2809 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0434 1.0713 0.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3946 -0.6732 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 -0.7527 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 -1.7033 -0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0378 -1.6935 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0128 -2.6394 -0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2172 -2.6892 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 -1.7615 0.9174 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6815 -2.2631 1.6594 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1858 -0.5058 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6035 0.4942 1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1651 1.7461 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3633 1.5182 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4198 0.7354 -1.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5411 2.2153 0.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0925 2.3997 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2177 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4776 1.5269 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0636 1.7817 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5203 0.4508 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0361 -1.2517 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5829 -0.0582 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 -0.9303 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3412 -0.3377 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0714 2.0996 0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 2.4184 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 -0.6510 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 0.6507 -1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 -1.3495 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 -0.0494 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -2.4156 -1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -0.9649 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7606 -3.3256 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9682 -3.4217 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 -1.4773 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5264 -3.1774 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0514 -0.8655 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4433 -0.1073 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6973 0.7305 1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3301 0.0006 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3702 2.2605 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4127 2.4601 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6197 2.9043 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 1 20 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 26 54 1 0 M END