HMDB0240259 RDKit 3D Stercobilin 89 92 0 0 0 0 0 0 0 0999 V2000 5.8885 4.9412 -1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6297 4.8030 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 3.4768 0.2503 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4618 3.2707 1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0324 4.0715 1.9357 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 2.0237 0.7506 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8828 1.2598 0.0777 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3059 0.1974 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.7191 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2323 -0.9119 -0.1575 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7859 -1.8452 0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4477 -2.2806 0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.7530 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 -0.5243 -0.4429 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -0.4289 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9331 0.7931 -1.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 1.5634 -1.6537 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2246 2.7775 -2.4927 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1068 3.6204 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8462 4.5337 -2.2528 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 3.2916 -0.3474 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6435 4.4765 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 2.1504 -0.2928 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4624 1.1748 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 1.9390 2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 -1.6904 -1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3966 -2.0168 -2.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 -2.4866 -0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -3.9291 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 -4.8244 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 -4.5901 -2.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -3.4567 -2.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 -5.6149 -3.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -2.2406 1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 -3.1658 2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -4.6098 2.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 -5.4871 3.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 -6.7104 3.4675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 -5.0221 4.8775 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9488 -1.5444 1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3214 -1.6190 1.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6158 2.3246 -0.7139 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0049 1.8397 -1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 4.3749 -0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2162 6.0215 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7462 4.6673 -2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 5.6178 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 4.7842 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5486 3.3872 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 1.6800 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 0.8512 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 0.7100 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 -0.3775 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7423 -2.9927 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 0.2518 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 1.4675 -2.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 0.5238 -3.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 1.0432 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 2.9718 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0477 2.9453 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0703 5.3818 -0.0305 H 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1 0 22 63 1 0 23 64 1 1 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 25 69 1 0 27 70 1 0 27 71 1 0 27 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 33 77 1 0 35 78 1 0 35 79 1 0 36 80 1 0 36 81 1 0 39 82 1 0 41 83 1 0 41 84 1 0 41 85 1 0 42 86 1 6 43 87 1 0 43 88 1 0 43 89 1 0 M END