HMDB0036461 RDKit 3D Geosmin 35 36 0 0 0 0 0 0 0 0999 V2000 2.3708 1.5281 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 0.7741 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -0.3620 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4202 -1.6974 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 -1.5243 -0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5595 -0.7566 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 -1.7116 1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0531 -0.5990 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3994 0.3319 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5055 1.5450 -1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 1.6579 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 0.5172 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 0.5863 1.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4272 1.2532 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 1.2517 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 2.6093 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 1.5170 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 -0.4838 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 -0.2163 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 -2.3791 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 -2.1889 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -1.0498 -1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -2.5412 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 -2.7249 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6251 -1.6495 1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 -1.3259 2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 -1.6224 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -0.2269 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 -0.1405 -2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 0.6630 -0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 1.5181 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 2.4770 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 1.7061 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 2.5923 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 0.6720 2.3556 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 2 1 0 12 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 M END