HMDB0012607 RDKit 3D 18-Carboxy-dinor-LTE4 61 60 0 0 0 0 0 0 0 0999 V2000 -5.3108 -3.1625 1.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9242 -3.4248 0.0751 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6935 -2.5991 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0804 -0.8413 -0.0275 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 0.1460 -0.4088 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5086 -0.0751 0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 -0.1875 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8022 -0.4032 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 -0.5121 0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1388 -0.7268 1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 -0.8404 1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8711 -0.7634 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 -2.0512 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7886 -2.1537 -0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6657 -1.0017 -0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8670 -1.0813 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6718 0.1337 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3974 0.1779 -1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6898 1.2299 0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 1.6152 -0.3863 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8658 2.3993 -0.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 1.8408 -1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5438 3.2646 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 3.7981 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4582 5.2231 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3584 5.8008 -1.4579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9749 5.9406 0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0451 -3.1136 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -3.2729 -2.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 -2.6472 -0.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6236 -3.6517 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2442 -2.1459 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 -4.5068 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -2.7400 -1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 -2.8310 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 -0.1255 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 -0.1499 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.1177 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 -0.4858 2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 -0.4246 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 -0.8054 2.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1772 -1.0048 2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4454 0.1383 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -0.7319 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 -2.9411 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 -3.1646 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2481 -0.0129 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1766 -1.1339 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5399 -1.0948 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 -2.0003 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9803 1.9399 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.9184 0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3775 2.0992 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7117 1.5690 -2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9479 1.2122 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 3.9487 -1.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4042 3.3018 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9549 3.2182 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3065 3.7238 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8675 6.4028 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3659 -2.1160 0.5036 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 5 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 2 28 1 0 28 29 2 0 28 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 3 34 1 0 3 35 1 0 5 36 1 6 6 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 20 52 1 1 21 53 1 0 22 54 1 0 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 27 60 1 0 30 61 1 0 M END