Vitamins

Cas#: 488-59-5        Compound CID:  892

Formula:  C₆H₁₂O₆        Molecular Weight: 180.16

IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol

SMILES: C1(C(C(C(C(C1O)O)O)O)O)O

InChIKey: CDAISMWEOUEBRE-UHFFFAOYSA-N

InChI: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H

Cas#: 58-95-7        Compound CID:  86472

Formula:  C₃₁H₅₂O₃        Molecular Weight: 472.74

IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate

SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C

InChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-N

InChI: InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1

Cas#: 67-48-1        Compound CID:  6209

Formula:  C₅H₁₄ClNO        Molecular Weight: 139.62

IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;chloride

SMILES: C[N+](C)(C)CCO.[Cl-]

InChIKey: SGMZJAMFUVOLNK-UHFFFAOYSA-M

InChI: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Cas#: 54350-48-0        Compound CID:  5282375

Formula:  C₂₃H₃₀O₃        Molecular Weight: 354.49

IUPAC Name: ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

SMILES: CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C

InChIKey: HQMNCQVAMBCHCO-DJRRULDNSA-N

InChI: InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+

Cas#: 6556-11-2        Compound CID:  3720

Formula:  C₄₂H₃₀N₆O₁₂        Molecular Weight: 810.72

IUPAC Name: [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate

SMILES: C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7

InChIKey: MFZCIDXOLLEMOO-UHFFFAOYSA-N

InChI: InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H

Cas#: 541-15-1        Compound CID:  10917

Formula:  C₇H₁₅NO₃        Molecular Weight: 161.2

IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate

SMILES: C[N+](C)(C)C[C@H](O)CC([O-])=O

InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N

InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1

Cas#: 59-67-6        Compound CID:  938

Formula:  C₆H₅NO₂        Molecular Weight: 123.11

IUPAC Name: pyridine-3-carboxylic acid

SMILES: C1=CC(=CN=C1)C(=O)O

InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N

InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

Cas#: 54-47-7        Compound CID:  1051

Formula:  C₈H₁₀NO₆P        Molecular Weight: 247.14

IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O

InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N

InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)

Cas#: 302-79-4        Compound CID:  444795

Formula:  C₂₀H₂₈O₂        Molecular Weight: 300.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+

Cas#: 68-26-8        Compound CID:  445354

Formula:  C₂₀H₃₀O        Molecular Weight: 286.45

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

InChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-N

InChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

Cas#: 50-81-7(DMSO)       

Formula:  C₆H₈O₆        Molecular Weight: 176.12

SMILES: OCC(O)C1OC(=O)C(=C1O)O

Cas#: 116-31-4        Compound CID:  638015

Formula:  C₂₀H₂₈O        Molecular Weight: 284.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C

InChIKey: NCYCYZXNIZJOKI-OVSJKPMPSA-N

InChI: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+