HMDB0037235 RDKit 3D Quassinol 50 54 0 0 0 0 0 0 0 0999 V2000 -3.1303 1.3569 -1.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 0.3821 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7267 -0.6225 -1.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0588 -0.7248 -3.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8321 -1.6451 -1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 -1.7199 -1.9941 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 -0.6595 -1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 0.5720 -1.7324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 -0.5352 -1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0326 -0.9428 -2.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3419 0.1308 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 0.7716 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 2.2935 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2314 0.3983 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 0.3361 2.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 -0.1507 2.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 0.8478 2.9415 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 1.8898 2.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 2.9874 2.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 1.6641 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 0.5270 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -0.5776 0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 -1.4859 1.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -1.4505 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -0.9601 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -1.9943 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 2.3373 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3989 1.0404 -2.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0932 1.4777 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -1.5532 -3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -2.6400 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 0.6636 -2.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 0.8796 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 -0.6220 -0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2206 0.5884 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8922 2.8129 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4541 2.5665 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 2.6824 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 1.1178 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 1.3595 2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -0.3098 2.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5732 -1.0351 2.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 2.4862 0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 -2.5400 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 -1.1943 2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3049 -1.4366 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -2.4535 0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -2.4199 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 -1.6524 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 -2.8438 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 21 2 1 0 24 5 1 0 25 7 1 0 25 14 1 0 22 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 8 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 20 43 1 0 23 44 1 0 23 45 1 0 23 46 1 0 24 47 1 0 26 48 1 0 26 49 1 0 26 50 1 0 M END