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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (267)
Coumarins and derivatives (263)
Flavonoids (174)
Phenylpropanoic acids (166)
Linear 1 3-diarylpropanoids (140)
Depsides and depsidones (69)
Stilbenes (60)
Cinnamaldehydes (42)
Isoflavonoids (41)
Isocoumarins and derivatives (18)
Cinnamyl alcohols (16)
Tetracyclines (10)
Anthracyclines (7)
Dihydrocoumarins (5)
Macrolide lactams (4)
Macrolactams (3)
Macrolides and analogues (2)
Neoflavonoids (2)
Angucyclines (1)
Ochratoxins and related substances (1)

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Ochratoxin A, 99+%

CAS: 303-47-9 Molecular Formula: C20H18ClNO6 Molecular Weight (g/mol): 403.82 MDL Number: MFCD00078079 InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N Synonym: ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 PubChem CID: 442530 ChEBI: CHEBI:7719 IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

PubChem CID 442530
CAS 303-47-9
Molecular Weight (g/mol) 403.82
ChEBI CHEBI:7719
MDL Number MFCD00078079
SMILES CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl
Synonym ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382
IUPAC Name (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
InChI Key RWQKHEORZBHNRI-BMIGLBTASA-N
Molecular Formula C20H18ClNO6
2
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Benzoin, 99%

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
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
3
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Benzoin methyl ether, 97%

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
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
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4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%

CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.4 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

PubChem CID 5284378
CAS 81-11-8
Molecular Weight (g/mol) 370.4
MDL Number MFCD00024946
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
Synonym amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid
IUPAC Name 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI Key REJHVSOVQBJEBF-OWOJBTEDSA-N
Molecular Formula C14H14N2O6S2
5
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4-Amino-4'-nitrostilbene-2,2'-disulfonic acid, tech. 80%, Thermo Scientific Chemicals

CAS: 119-72-2 Molecular Formula: C14H12N2O8S2 Molecular Weight (g/mol): 400.376 MDL Number: MFCD00035915 InChI Key: GHBWBMDGBCKAQU-OWOJBTEDSA-N Synonym: 4-nitro-4'-aminostilbene-2,2'-disulfonic acid,4-amino-4'-nitro-2,2'-stilbenedisulfonic acid,4-amino-4'-nitrostilbene-2,2'-disulfonic acid,kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech,kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech,benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl,2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro,5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid,5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid,5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid PubChem CID: 5473847 IUPAC Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

PubChem CID 5473847
CAS 119-72-2
Molecular Weight (g/mol) 400.376
MDL Number MFCD00035915
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
Synonym 4-nitro-4'-aminostilbene-2,2'-disulfonic acid,4-amino-4'-nitro-2,2'-stilbenedisulfonic acid,4-amino-4'-nitrostilbene-2,2'-disulfonic acid,kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech,kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech,benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl,2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro,5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid,5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid,5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid
IUPAC Name 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI Key GHBWBMDGBCKAQU-OWOJBTEDSA-N
Molecular Formula C14H12N2O8S2
6
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4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%

CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.394 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

PubChem CID 5284378
CAS 81-11-8
Molecular Weight (g/mol) 370.394
MDL Number MFCD00024946
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
Synonym amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid
IUPAC Name 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI Key REJHVSOVQBJEBF-OWOJBTEDSA-N
Molecular Formula C14H14N2O6S2
7
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Benzoin, 98%

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
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
8
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2,2-Dimethoxy-2-phenylacetophenone, 99%

CAS: 24650-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.30 MDL Number: MFCD00008475 InChI Key: KWVGIHKZDCUPEU-UHFFFAOYSA-N Synonym: 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621 PubChem CID: 90571 IUPAC Name: 2,2-dimethoxy-1,2-diphenylethanone SMILES: COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 90571
CAS 24650-42-8
Molecular Weight (g/mol) 256.30
MDL Number MFCD00008475
SMILES COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621
IUPAC Name 2,2-dimethoxy-1,2-diphenylethanone
InChI Key KWVGIHKZDCUPEU-UHFFFAOYSA-N
Molecular Formula C16H16O3
9
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Anisoin, 97%

CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1

PubChem CID 95415
CAS 119-52-8
Molecular Weight (g/mol) 272.30
MDL Number MFCD00008411
SMILES COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
Synonym anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one
IUPAC Name 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
InChI Key LRRQSCPPOIUNGX-UHFFFAOYNA-N
Molecular Formula C16H16O4
10

Chrysophenine sodium salt, Thermo Scientific Chemicals

CAS: 2870-32-8 Molecular Formula: C30H26N4Na2O8S2 Molecular Weight (g/mol): 680.66 MDL Number: MFCD00007488 InChI Key: YQMJDPHTMKUEHG-RPKDOIGLSA-L Synonym: chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp PubChem CID: 54603156 IUPAC Name: sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid SMILES: [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O

PubChem CID 54603156
CAS 2870-32-8
Molecular Weight (g/mol) 680.66
MDL Number MFCD00007488
SMILES [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(\C=C/C2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O
Synonym chrysophenine g,chrysophenine j,chrysophenine y,aurophenine o,chrysophenine gp,chrysophenine ns,direct yellow c,benzo yellow lg,erie yellow y,chrysophenine esp
IUPAC Name sodium;5-[(4-ethoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
InChI Key YQMJDPHTMKUEHG-RPKDOIGLSA-L
Molecular Formula C30H26N4Na2O8S2
11

Anisoin, 95%

CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1

PubChem CID 95415
CAS 119-52-8
Molecular Weight (g/mol) 272.30
MDL Number MFCD00008411
SMILES COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
Synonym anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one
IUPAC Name 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
InChI Key LRRQSCPPOIUNGX-UHFFFAOYNA-N
Molecular Formula C16H16O4
12
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7-Hydroxy-4-(trifluoromethyl)coumarin, 98%

CAS: 575-03-1 Molecular Formula: C10H5F3O3 Molecular Weight (g/mol): 230.142 MDL Number: MFCD00037578 InChI Key: CCKWMCUOHJAVOL-UHFFFAOYSA-N Synonym: 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu PubChem CID: 5375667 IUPAC Name: 7-hydroxy-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F

PubChem CID 5375667
CAS 575-03-1
Molecular Weight (g/mol) 230.142
MDL Number MFCD00037578
SMILES C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
Synonym 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu
IUPAC Name 7-hydroxy-4-(trifluoromethyl)chromen-2-one
InChI Key CCKWMCUOHJAVOL-UHFFFAOYSA-N
Molecular Formula C10H5F3O3
13
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Scopoletin, 95%

CAS: 92-61-5 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006872 InChI Key: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC Name: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

PubChem CID 5280460
CAS 92-61-5
Molecular Weight (g/mol) 192.17
ChEBI CHEBI:17488
MDL Number MFCD00006872
SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Synonym scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin
IUPAC Name 7-hydroxy-6-methoxychromen-2-one
InChI Key RODXRVNMMDRFIK-UHFFFAOYSA-N
Molecular Formula C10H8O4
14

MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

PubChem CID 92249
CAS 26093-31-2
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:51771
MDL Number MFCD00006868
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
IUPAC Name 7-amino-4-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
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7-Amino-4-(trifluoromethyl)coumarin, 97%

CAS: 53518-15-3 Molecular Formula: C10H6F3NO2 Molecular Weight (g/mol): 229.158 MDL Number: MFCD00006858 InChI Key: JBNOVHJXQSHGRL-UHFFFAOYSA-N Synonym: coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017 PubChem CID: 100641 ChEBI: CHEBI:51772 IUPAC Name: 7-amino-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F

PubChem CID 100641
CAS 53518-15-3
Molecular Weight (g/mol) 229.158
ChEBI CHEBI:51772
MDL Number MFCD00006858
SMILES C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F
Synonym coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017
IUPAC Name 7-amino-4-(trifluoromethyl)chromen-2-one
InChI Key JBNOVHJXQSHGRL-UHFFFAOYSA-N
Molecular Formula C10H6F3NO2