Vitamins

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#: 89-65-6        Compound CID:  54675810

Formula:  C₆H₈O₆        Molecular Weight: 176.12

IUPAC Name: (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

SMILES: C(C(C1C(=C(C(=O)O1)O)O)O)O

InChIKey: CIWBSHSKHKDKBQ-DUZGATOHSA-N

InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1

Cas#: 5080-50-2        Compound CID:  2733928

Formula:  C₉H₁₇NO₄·HCl        Molecular Weight: 239.7

IUPAC Name: [(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium;chloride

SMILES: CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

InChIKey: JATPLOXBFFRHDN-DDWIOCJRSA-N

InChI: InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1

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#: 3493-12-7        Compound CID:  14220

Formula:  C₆H₁₄ClNO₂S        Molecular Weight: 199.69

IUPAC Name: (3-amino-3-carboxypropyl)-dimethylsulfanium;chloride

SMILES: C[S+](C)CCC(C(=O)O)N.[Cl-]

InChIKey: MYGVPKMVGSXPCQ-UHFFFAOYSA-N

InChI: InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H

Cas#: 16485-10-2        Compound CID:  4678

Formula:  C₉H₁₉NO₄        Molecular Weight: 205.25

IUPAC Name: 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

SMILES: CC(C)(CO)C(C(=O)NCCCO)O

InChIKey: SNPLKNRPJHDVJA-UHFFFAOYSA-N

InChI: InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)

Cas#: 93-60-7        Compound CID:  7151

Formula:  C₇H₇NO₂        Molecular Weight: 137.14

IUPAC Name: methyl pyridine-3-carboxylate

SMILES: COC(=O)C1=CN=CC=C1

InChIKey: YNBADRVTZLEFNH-UHFFFAOYSA-N

InChI: InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3

Cas#: 867-81-2       

Formula:  C₉H₁₆NNaO₅        Molecular Weight: 241.22

IUPAC Name: sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate

SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Na+]

InChIKey: GQTHJBOWLPZUOI-FJXQXJEOSA-M

InChI: InChI=1S/C9H17NO5.Na/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+1/p-1/t7-;/m0./s1

Cas#: 153559-49-0        Compound CID:  82146

Formula:  C₂₄H₂₈O₂        Molecular Weight: 348.48

IUPAC Name: 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid

SMILES: CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

InChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-N

InChI: InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)

Cas#: 65-22-5        Compound CID:  6171

Formula:  C₈H₉NO₃·HCl        Molecular Weight: 203.62

IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride

SMILES: CC1=NC=C(C(=C1O)C=O)CO.Cl

InChIKey: FCHXJFJNDJXENQ-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H

Cas#: 134-03-2        Compound CID:  23667548

Formula:  C₆H₇NaO₆        Molecular Weight: 198.11

IUPAC Name: sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate

SMILES: [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]

InChIKey: PPASLZSBLFJQEF-RXSVEWSESA-M

InChI: InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1

Cas#: 87-89-8        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