Phenylpropanoids and polyketides
Phenylpropanoids and polyketides
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p-Coumaric Acid, MP Biomedicals
CAS: 7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O
PubChem CID | 637542 |
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CAS | 7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0,7400-08-0 |
Molecular Weight (g/mol) | 164.16 |
ChEBI | CHEBI:32374 |
SMILES | C1=CC(=CC=C1C=CC(=O)O)O |
Synonym | p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid |
IUPAC Name | (E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
InChI Key | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
Molecular Formula | C9H8O3 |
Myricetin 97.0+%, TCI America™
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CAS: 529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2 Molecular Formula: C15H10O8 Molecular Weight (g/mol): 318.24 MDL Number: MFCD00006827 InChI Key: IKMDFBPHZNJCSN-UHFFFAOYSA-N Synonym: myricetin,cannabiscetin,myricetol,myricitin,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-chromen-4-one,3,3',4',5,5',7-hexahydroxyflavone,3,5,7,3',4',5'-hexahydroxyflavone,unii-76xc01ftoj,ccris 5838,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-1-benzopyran-4-one PubChem CID: 5281672 ChEBI: CHEBI:18152 IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
PubChem CID | 5281672 |
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CAS | 529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2,529-44-2 |
Molecular Weight (g/mol) | 318.24 |
ChEBI | CHEBI:18152 |
MDL Number | MFCD00006827 |
SMILES | OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1 |
Synonym | myricetin,cannabiscetin,myricetol,myricitin,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-chromen-4-one,3,3',4',5,5',7-hexahydroxyflavone,3,5,7,3',4',5'-hexahydroxyflavone,unii-76xc01ftoj,ccris 5838,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-1-benzopyran-4-one |
IUPAC Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one |
InChI Key | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
Molecular Formula | C15H10O8 |
Quercetin dihydrate, 97%, Thermo Scientific Chemicals
CAS: 6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.27 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
PubChem CID | 5284452 |
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CAS | 6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3,6151-25-3 |
Molecular Weight (g/mol) | 338.27 |
MDL Number | MFCD00149487 |
SMILES | O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1 |
Synonym | quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate |
InChI Key | GMGIWEZSKCNYSW-UHFFFAOYSA-N |
Molecular Formula | C15H14O9 |
Doxorubicin hydrochloride, Thermo Scientific Chemicals
CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 MDL Number: MFCD00077757,MFCD00077757,MFCD00941448 InChI Key: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
PubChem CID | 129626538 |
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CAS | 25316-40-9 |
Molecular Weight (g/mol) | 579.98 |
MDL Number | MFCD00077757,MFCD00077757,MFCD00941448 |
SMILES | [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O |
Synonym | doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs |
IUPAC Name | hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride |
InChI Key | MWWSFMDVAYGXBV-FGBJBKNOSA-N |
Molecular Formula | C27H30ClNO11 |
Rottlerin, Tocris Bioscience™
CAS: 82-08-6 Molecular Formula: C30H28O8 Molecular Weight (g/mol): 516.546 InChI Key: DEZFNHCVIZBHBI-ZHACJKMWSA-N Synonym: rottlerin,mallotoxin,kamalin,unii-e29lp3zmuh,e29lp3zmuh,chembl34241,bmk1-f10,e-1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one,1-6-3-acetyl-2,4,6-trihydroxy-5-methyl-benzyl-5,7-dihydroxy-2,2-dimethyl-2h-chromen-8-yl-3-phenyl-propenone,1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one PubChem CID: 5281847 ChEBI: CHEBI:8899 IUPAC Name: (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one SMILES: CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O
PubChem CID | 5281847 |
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CAS | 82-08-6 |
Molecular Weight (g/mol) | 516.546 |
ChEBI | CHEBI:8899 |
SMILES | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O |
Synonym | rottlerin,mallotoxin,kamalin,unii-e29lp3zmuh,e29lp3zmuh,chembl34241,bmk1-f10,e-1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one,1-6-3-acetyl-2,4,6-trihydroxy-5-methyl-benzyl-5,7-dihydroxy-2,2-dimethyl-2h-chromen-8-yl-3-phenyl-propenone,1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one |
IUPAC Name | (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one |
InChI Key | DEZFNHCVIZBHBI-ZHACJKMWSA-N |
Molecular Formula | C30H28O8 |
Daunorubicin hydrochloride, Tocris Bioscience™
CAS: 23541-50-6 Molecular Formula: C27H30ClNO10 Molecular Weight (g/mol): 563.984 InChI Key: GUGHGUXZJWAIAS-QQYBVWGSSA-N Synonym: daunorubicin hydrochloride,daunorubicin hcl,daunomycin hydrochloride,daunoblastina,rubidomycin hydrochloride,daunorubicinol hydrochloride,daunoblastin,rubomycin,ondena,daunomycin chlorohydrate PubChem CID: 62770 IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.Cl
PubChem CID | 62770 |
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CAS | 23541-50-6 |
Molecular Weight (g/mol) | 563.984 |
SMILES | CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.Cl |
Synonym | daunorubicin hydrochloride,daunorubicin hcl,daunomycin hydrochloride,daunoblastina,rubidomycin hydrochloride,daunorubicinol hydrochloride,daunoblastin,rubomycin,ondena,daunomycin chlorohydrate |
IUPAC Name | (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride |
InChI Key | GUGHGUXZJWAIAS-QQYBVWGSSA-N |
Molecular Formula | C27H30ClNO10 |
Ethyl coumarin-3-carboxylate, 98%, Thermo Scientific Chemicals
CAS: 1846-76-0 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00016964 InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonym: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester PubChem CID: 15800 IUPAC Name: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O
PubChem CID | 15800 |
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CAS | 1846-76-0 |
Molecular Weight (g/mol) | 218.208 |
MDL Number | MFCD00016964 |
SMILES | CCOC(=O)C1=CC2=CC=CC=C2OC1=O |
Synonym | ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester |
IUPAC Name | ethyl 2-oxochromene-3-carboxylate |
InChI Key | XKHPEMKBJGUYCM-UHFFFAOYSA-N |
Molecular Formula | C12H10O4 |
Cinnamyl alcohol, 98%, Thermo Scientific Chemicals
CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO
PubChem CID | 5315892 |
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CAS | 104-54-1 |
Molecular Weight (g/mol) | 134.178 |
ChEBI | CHEBI:33227 |
MDL Number | MFCD00002921 |
SMILES | C1=CC=C(C=C1)C=CCO |
Synonym | cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol |
IUPAC Name | (E)-3-phenylprop-2-en-1-ol |
InChI Key | OOCCDEMITAIZTP-QPJJXVBHSA-N |
Molecular Formula | C9H10O |
3-Chlorocinnamic acid, predominantly trans, 98+%, Thermo Scientific Chemicals
CAS: 1866-38-2 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 MDL Number: MFCD00004384 InChI Key: FFKGOJWPSXRALK-SNAWJCMRSA-N Synonym: 3-chlorocinnamic acid,3-3-chlorophenyl acrylic acid,m-chlorocinnamic acid,e-3-3-chlorophenyl acrylic acid,2e-3-3-chlorophenyl acrylic acid,trans-3-chlorocinnamic acid,e-3-chlorocinnamic acid,2e-3-3-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-3-chlorophenyl,rarechem bk hc t320 PubChem CID: 735250 IUPAC Name: (E)-3-(3-chlorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC(=C1)Cl)C=CC(=O)O
PubChem CID | 735250 |
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CAS | 1866-38-2 |
Molecular Weight (g/mol) | 182.603 |
MDL Number | MFCD00004384 |
SMILES | C1=CC(=CC(=C1)Cl)C=CC(=O)O |
Synonym | 3-chlorocinnamic acid,3-3-chlorophenyl acrylic acid,m-chlorocinnamic acid,e-3-3-chlorophenyl acrylic acid,2e-3-3-chlorophenyl acrylic acid,trans-3-chlorocinnamic acid,e-3-chlorocinnamic acid,2e-3-3-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-3-chlorophenyl,rarechem bk hc t320 |
IUPAC Name | (E)-3-(3-chlorophenyl)prop-2-enoic acid |
InChI Key | FFKGOJWPSXRALK-SNAWJCMRSA-N |
Molecular Formula | C9H7ClO2 |
(+)-Rutin trihydrate, 95%, Thermo Scientific Chemicals
CAS: 250249-75-3 Molecular Formula: C27H36O19 Molecular Weight (g/mol): 664.566 MDL Number: MFCD00149490 InChI Key: NLLBWFFSGHKUSY-JPRRWYCFSA-N Synonym: rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard PubChem CID: 16218542 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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]oxychromen-4-one;trihydrate SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
PubChem CID | 16218542 |
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CAS | 250249-75-3 |
Molecular Weight (g/mol) | 664.566 |
MDL Number | MFCD00149490 |
SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O |
Synonym | rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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]oxychromen-4-one;trihydrate |
InChI Key | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
Molecular Formula | C27H36O19 |
3-(4-Methoxyphenyl)propionic acid, 98%, Thermo Scientific Chemicals
CAS: 1929-29-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002777 InChI Key: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy PubChem CID: 95750 IUPAC Name: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O
PubChem CID | 95750 |
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CAS | 1929-29-9 |
Molecular Weight (g/mol) | 180.203 |
MDL Number | MFCD00002777 |
SMILES | COC1=CC=C(C=C1)CCC(=O)O |
Synonym | 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy |
IUPAC Name | 3-(4-methoxyphenyl)propanoic acid |
InChI Key | FIUFLISGGHNPSM-UHFFFAOYSA-N |
Molecular Formula | C10H12O3 |
Benzoin, 99%, Thermo Scientific Chemicals
CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethanone SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 8400 |
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CAS | 119-53-9 |
Molecular Weight (g/mol) | 212.25 |
ChEBI | CHEBI:17682 |
MDL Number | MFCD00004496 |
SMILES | OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone |
IUPAC Name | 2-hydroxy-1,2-diphenylethanone |
InChI Key | ISAOCJYIOMOJEB-UHFFFAOYNA-N |
Molecular Formula | C14H12O2 |
Benzoin methyl ether, 97%, Thermo Scientific Chemicals
CAS: 3524-62-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00008492 InChI Key: BQZJOQXSCSZQPS-UHFFFAOYSA-N Synonym: benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin PubChem CID: 98097 IUPAC Name: 2-methoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
PubChem CID | 98097 |
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CAS | 3524-62-7 |
Molecular Weight (g/mol) | 226.275 |
MDL Number | MFCD00008492 |
SMILES | COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
Synonym | benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin |
IUPAC Name | 2-methoxy-1,2-diphenylethanone |
InChI Key | BQZJOQXSCSZQPS-UHFFFAOYSA-N |
Molecular Formula | C15H14O2 |
4-Methylumbelliferone, 97%, Thermo Scientific Chemicals
CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
PubChem CID | 5280567 |
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CAS | 90-33-5 |
Molecular Weight (g/mol) | 176.17 |
ChEBI | CHEBI:17224 |
MDL Number | MFCD00006866 |
SMILES | CC1=CC(=O)OC2=CC(O)=CC=C12 |
Synonym | 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic |
IUPAC Name | 7-hydroxy-4-methylchromen-2-one |
InChI Key | HSHNITRMYYLLCV-UHFFFAOYSA-N |
Molecular Formula | C10H8O3 |
3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 98+%, Thermo Scientific Chemicals
CAS: 537-73-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004391 InChI Key: QURCVMIEKCOAJU-HWKANZROSA-N Synonym: isoferulic acid,3-hydroxy-4-methoxycinnamic acid,hesperetic acid,3-3-hydroxy-4-methoxyphenyl acrylic acid,2e-3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,isoferulate,2-propenoic acid, 3-3-hydroxy-4-methoxyphenyl,e-3-3-hydroxy-4-methoxyphenyl acrylic acid,3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,3-hydroxy-4-methoxy-cinnamic acid PubChem CID: 736186 ChEBI: CHEBI:27794 IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O
PubChem CID | 736186 |
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CAS | 537-73-5 |
Molecular Weight (g/mol) | 194.186 |
ChEBI | CHEBI:27794 |
MDL Number | MFCD00004391 |
SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)O |
Synonym | isoferulic acid,3-hydroxy-4-methoxycinnamic acid,hesperetic acid,3-3-hydroxy-4-methoxyphenyl acrylic acid,2e-3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,isoferulate,2-propenoic acid, 3-3-hydroxy-4-methoxyphenyl,e-3-3-hydroxy-4-methoxyphenyl acrylic acid,3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,3-hydroxy-4-methoxy-cinnamic acid |
IUPAC Name | (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
InChI Key | QURCVMIEKCOAJU-HWKANZROSA-N |
Molecular Formula | C10H10O4 |