Vitamins

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#: 36687-82-8        Compound CID:  254775306

Formula:  C₇H₁₅NO₃·1/₂C₄H₆O₆        Molecular Weight: 236.24

Cas#: 50-81-7        Compound CID:  54670067

Formula:  C₆H₈O₆        Molecular Weight: 176.12

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

SMILES: OC([C@]([C@@H](O)CO)([H])O1)=C(O)C1=O

InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-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+/m0/s1

Cas#: 50-81-7        Compound CID:  54670067

Formula:  C₆H₈O₆        Molecular Weight: 176.12

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

SMILES: OC([C@]([C@@H](O)CO)([H])O1)=C(O)C1=O

InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-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+/m0/s1

Cas#: 5300-03-8        Compound CID:  449171

Formula:  C₂₀H₂₈O₂        Molecular Weight: 300.435

IUPAC Name: (2E,4E,6Z,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-ZVCIMWCZSA-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#: 98-92-0        Compound CID:  936

Formula:  C₆H₆N₂O        Molecular Weight: 122.12

IUPAC Name: pyridine-3-carboxamide

SMILES: C1=CC(=CN=C1)C(=O)N

InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N

InChI: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

Cas#: 520-26-3       

Formula:  C₂₈H₃₄O₁₅        Molecular Weight: 610.56

IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

SMILES: COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-N

InChI: InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

Cas#: 514-78-3        Compound CID:  5281227

Formula:  C₄₀H₅₂O₂        Molecular Weight: 564.84

IUPAC Name: 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

SMILES: CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C

InChIKey: FDSDTBUPSURDBL-DKLMTRRASA-N

InChI: InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

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#: 4033-27-6        Compound CID:  135398604

Formula:  C₁₉H₂₁N₇O₆        Molecular Weight: 443.41

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

SMILES: C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: OZRNSSUDZOLUSN-LBPRGKRZSA-N

InChI: InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1

Cas#: 583-08-4        Compound CID:  68499

Formula:  C₈H₈N₂O₃        Molecular Weight: 180.16

IUPAC Name: 2-(pyridine-3-carbonylamino)acetic acid

SMILES: C1=CC(=CN=C1)C(=O)NCC(=O)O

InChIKey: ZBSGKPYXQINNGF-UHFFFAOYSA-N

InChI: InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)

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+