Marvin 01250716422D 19 19 0 0 0 0 999 V2000 -0.6417 -1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 -0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 -0.6621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 -1.8995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 0.5755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7852 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4996 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 0.4179 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -1.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1673 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 0.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 -0.6620 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6417 1.6762 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 18 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 7 8 2 0 0 0 0 11 14 1 0 0 0 0 11 10 1 0 0 0 0 14 12 2 0 0 0 0 12 18 1 0 0 0 0 18 10 2 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 2 18 1 19 -1 M END > CHEBI:33283 > thiamine(1+) chloride > 3 > vitamin B1; thiamine monochloride; thiamine chloride; Thiamin; 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride > 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride > tiamina; thiaminum; thiamine; thiamine > C12H17ClN4OS > 300.80844 > 300.08116 > 0 > [Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 > InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1 > MYVIATVLJGTBFV-UHFFFAOYSA-M > 3581326 > 59-43-8 > 318226 > 59-43-8 > DBSALT002650 > D08580 > Thiamine > 23914634; 25552500 $$$$