HMDB0006866 RDKit 3D 2-Methyl-1-hydroxypropyl-ThPP 58 59 0 0 0 0 0 0 0 0999 V2000 -4.4413 5.0091 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8487 3.8104 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 3.6835 0.6519 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3127 2.5934 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 1.5688 0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 0.5559 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 -0.4256 0.8666 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.4532 -1.7187 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 -2.4116 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8195 -1.6159 1.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0016 -3.0667 -0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 -4.1195 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -3.3408 -0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 -2.4049 0.2073 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 -1.0444 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -0.7162 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -0.4117 0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3702 0.2569 0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 -0.3701 -0.1387 P 0 0 0 0 0 5 0 0 0 0 0 0 6.4825 0.2269 -1.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.0466 -0.5627 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9432 -0.0883 1.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 1.4225 0.7155 P 0 0 0 0 0 5 0 0 0 0 0 0 8.3867 1.9080 1.9244 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 2.4745 0.3986 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 1.2950 -0.6353 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0595 -0.0670 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 1.3833 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 1.7177 -0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 0.7073 -1.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2825 2.8212 -1.3683 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 5.8581 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4167 4.6722 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9141 5.3989 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 2.5104 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8409 0.1152 2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 1.2005 2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 -3.2605 1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5029 -1.5812 0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 -2.1966 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 -4.7148 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 -3.7633 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 -4.8125 -1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9397 -2.3882 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 -4.0267 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0108 -3.8021 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7424 -1.8309 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 -0.2296 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 0.1943 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 -1.2968 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5633 -2.6183 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 2.6298 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6449 0.4185 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0736 2.0905 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 1.5138 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 1.7084 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 0.0390 -2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 0.5853 -1.8042 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 9 11 1 0 11 12 1 0 11 13 1 0 8 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 15 27 2 0 27 28 1 0 5 29 1 0 29 30 1 0 29 31 2 0 31 2 1 0 27 7 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 6 36 1 0 6 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 13 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 21 51 1 0 25 52 1 0 26 53 1 0 28 54 1 0 28 55 1 0 28 56 1 0 30 57 1 0 30 58 1 0 M CHG 1 7 1 M END