HMDB0033734 RDKit 3D DIBOA-Glc 41 43 0 0 0 0 0 0 0 0999 V2000 2.0291 -1.6436 -2.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 -0.9887 -1.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 0.2372 -1.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1493 0.0162 -0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 0.3667 -1.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 1.3961 -0.6869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 1.0377 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 1.4809 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6987 2.8780 0.4611 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0455 -0.4078 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8206 -0.6274 2.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -1.3480 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7676 -1.6397 -0.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9854 -0.7977 -1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -0.3262 -2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 1.1778 -0.9468 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 0.8528 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 1.7887 1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1353 1.3720 2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 0.0594 2.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 -0.8874 1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3337 -0.4797 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 -1.4471 -0.7583 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -2.7391 -0.6896 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 0.6587 -2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 0.7554 -2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 1.6205 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 0.9969 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0691 1.2245 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 3.2585 1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 -0.6093 1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 -1.3231 2.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 -2.3280 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9056 -2.1203 -1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 -1.5637 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0768 0.6488 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 2.8020 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 2.0739 2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 -0.2749 2.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 -1.9199 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 -3.2311 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 3 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 2 1 0 14 5 1 0 22 17 1 0 3 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 24 41 1 0 M END