HMDB0002666 RDKit 3D Thiamine monophosphate 40 41 0 0 0 0 0 0 0 0999 V2000 -6.2786 2.5952 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9423 1.9355 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7763 2.5582 0.5813 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5985 1.9701 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 0.7094 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 0.0412 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5243 -0.8445 -0.0486 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0420 -1.7577 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3145 -2.5097 1.4727 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 -1.6047 0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9618 -1.7522 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 -1.8325 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 -0.5342 -0.6226 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5448 0.2157 -0.2109 P 0 0 0 0 0 5 0 0 0 0 0 0 6.5470 0.3249 -1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 1.8308 0.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -0.5130 1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 -0.7825 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 0.0914 -1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.0674 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -1.2801 -0.9665 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9237 0.6761 -0.1271 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4577 3.2312 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 3.2713 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0452 1.8288 0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 2.5206 0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 -0.4083 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6666 0.9379 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 -2.0007 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -0.9332 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 -2.6667 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -1.9422 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0038 -2.6376 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 1.9005 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.0434 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 0.9620 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -0.5455 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 0.4592 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 -2.0665 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6277 -1.4723 -1.9789 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 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 14 17 1 0 10 18 2 0 18 19 1 0 5 20 1 0 20 21 1 0 20 22 2 0 22 2 1 0 18 7 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 19 37 1 0 19 38 1 0 21 39 1 0 21 40 1 0 M CHG 1 7 1 M END