Vitamins

Cas#: 65-23-6        Compound CID:  1054

Formula:  C₈H₁₁NO₃        Molecular Weight: 169.18

IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

SMILES: CC1=NC=C(C(=C1O)CO)CO

InChIKey: LXNHXLLTXMVWPM-UHFFFAOYSA-N

InChI: InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3

Cas#: 7069-42-3        Compound CID:  6394572

Formula:  C₂₃H₃₄O₂        Molecular Weight: 342.51

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

SMILES: CCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

InChIKey: SFRPDSKECHTFQA-ONOWFSFQSA-N

InChI: InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+

Cas#: 6645-46-1        Compound CID:  656657

Formula:  C₇H₁₆ClNO₃        Molecular Weight: 197.66

IUPAC Name: [(2R)-3-carboxy-2-hydroxypropyl]-trimethylazanium;chloride

SMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]

InChIKey: JXXCENBLGFBQJM-FYZOBXCZSA-N

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

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#: 17773-10-3        Compound CID:  87300

Formula:  C₅H₁₄INO        Molecular Weight: 231.08

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

SMILES: C[N+](C)(C)CCO.[I-]

InChIKey: FNPBHXSBDADRBT-UHFFFAOYSA-M

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

Cas#: 58-56-0        Compound CID:  6019

Formula:  C₈H₁₁NO₃·HCl        Molecular Weight: 205.64

IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl

InChIKey: ZUFQODAHGAHPFQ-UHFFFAOYSA-N

InChI: InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H

Cas#: 25234-60-0        Compound CID:  91343

Formula:  C₁₇H₃₆ClNO₂·xH₂O        Molecular Weight: 321.93(as Anhydrous)

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

SMILES: CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]

InChIKey: BBJUKVPDIPYNBS-UHFFFAOYSA-M

InChI: InChI=1S/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1

Cas#: 9002-96-4       

Formula:  C₃₃H₅₄O₅.(C₂H₄O)_n       

Cas#: 84-80-0        Compound CID:  5284607

Formula:  C₃₁H₄₆O₂        Molecular Weight: 450.7

IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione

SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

InChIKey: MBWXNTAXLNYFJB-NKFFZRIASA-N

InChI: InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

Cas#: 863-61-6        Compound CID:  5282367

Formula:  C₃₁H₄₀O₂        Molecular Weight: 444.65

IUPAC Name: 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione

SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

InChIKey: DKHGMERMDICWDU-GHDNBGIDSA-N

InChI: InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+

Cas#: 573-20-6        Compound CID:  11310

Formula:  C₁₅H₁₄O₄        Molecular Weight: 258.27

IUPAC Name: (4-acetyloxy-3-methylnaphthalen-1-yl) acetate

SMILES: CC1=C(C2=CC=CC=C2C(=C1)OC(=O)C)OC(=O)C

InChIKey: RYWSYCQQUDFMAU-UHFFFAOYSA-N

InChI: InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3

Cas#: 511-28-4        Compound CID:  5460703

Formula:  C₂₈H₄₆O        Molecular Weight: 398.66

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChIKey: DIPPFEXMRDPFBK-JPWDPSJFSA-N

InChI: InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1