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trans-Cinnamaldehyde, 99%, Thermo Scientific Chemicals

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

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Cinnamaldehydes

PubChem CID	637511
CAS	14371-10-9
Molecular Weight (g/mol)	132.16
ChEBI	CHEBI:16731
MDL Number	MFCD00007000
SMILES	O=C\C=C\C1=CC=CC=C1
Synonym	cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
InChI Key	KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Molecular Formula	C9H8O

Paraffin, liquid, pure, Thermo Scientific Chemicals

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

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Flavonoids

PubChem CID	68245
CAS	8012-95-1
Molecular Weight (g/mol)	0.00
ChEBI	CHEBI:38701
MDL Number	MFCD00131611
SMILES	*
Synonym	delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name	2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key	FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula	MFCD00131611

Paraffin wax, pure, granular, ACROS Organics™

CAS: 8002-74-2 Molecular Formula: CnH₂n+₂ Molecular Weight (g/mol): 341.451 MDL Number: MFCD00132833 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn PubChem CID: 4932 ChEBI: CHEBI:63619 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

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Linear 1 3-diarylpropanoids

PubChem CID	4932
CAS	8002-74-2
Molecular Weight (g/mol)	341.451
ChEBI	CHEBI:63619
MDL Number	MFCD00132833
SMILES	CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
Synonym	propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn
IUPAC Name	1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
InChI Key	JWHAUXFOSRPERK-UHFFFAOYSA-N
Molecular Formula	CnH₂n+₂

Curcumin, 95% (total curcuminoid content), from Turmeric rhizome, Thermo Scientific Chemicals

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

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Cinnamic acids and derivatives

PubChem CID	969516
CAS	458-37-7
Molecular Weight (g/mol)	368.39
ChEBI	CHEBI:3962
MDL Number	MFCD00008365
SMILES	COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym	curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
IUPAC Name	(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
InChI Key	ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula	C21H20O6

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

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Stilbenes

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

trans-4-Hydroxy-3-methoxycinnamic acid, 99%, Thermo Scientific Chemicals

CAS: 537-98-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(\C=C\C(O)=O)=CC=C1O

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Cinnamic acids and derivatives

PubChem CID	445858
CAS	537-98-4
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:17620
MDL Number	MFCD00004400
SMILES	COC1=CC(\C=C\C(O)=O)=CC=C1O
Synonym	ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl
IUPAC Name	(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
InChI Key	KSEBMYQBYZTDHS-HWKANZROSA-N
Molecular Formula	C10H10O4

Thermo Scientific Chemicals 7-Amino-4-methylcoumarin, 98%

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-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

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Coumarins and derivatives

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-methylchromen-2-one
InChI Key	GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

7-Amino-4-methylcoumarin, 98%, Thermo Scientific Chemicals

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Coumarins and derivatives

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-methylchromen-2-one
InChI Key	GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

Quercetin dihydrate, 97%, Thermo Scientific Chemicals

CAS: 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

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Flavonoids

PubChem CID	5284452
CAS	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

4',5,7-Trihydroxyisoflavone, 99+%, Thermo Scientific Chemicals

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

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Isoflavonoids

PubChem CID	5280961
CAS	446-72-0
Molecular Weight (g/mol)	270.24
ChEBI	CHEBI:28088
MDL Number	MFCD00016952
SMILES	OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym	genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein
IUPAC Name	5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key	TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula	C15H10O5

Benzoin, 98%, Thermo Scientific Chemicals

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Stilbenes

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

Thermo Scientific Chemicals Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 98+%

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

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Cinnamic acids and derivatives

PubChem CID	969516
CAS	458-37-7
Molecular Weight (g/mol)	368.39
ChEBI	CHEBI:3962
MDL Number	MFCD00008365
SMILES	COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym	curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
InChI Key	ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula	C21H20O6

Nujol, for IR spectroscopy, Thermo Scientific Chemicals

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Flavonoids

PubChem CID	68245
CAS	8012-95-1
Molecular Weight (g/mol)	0.00
ChEBI	CHEBI:38701
MDL Number	MFCD00131611
SMILES	*
Synonym	delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name	2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key	FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula	MFCD00131611

Phenyl salicylate, 99%, Thermo Scientific Chemicals

CAS: 118-55-8 Molecular Formula: C₁₃H₁₀O₃ Molecular Weight (g/mol): 214.22 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

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Depsides and depsidones

PubChem CID	8361
CAS	118-55-8
Molecular Weight (g/mol)	214.22
ChEBI	CHEBI:34918
SMILES	C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym	phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name	phenyl 2-hydroxybenzoate
InChI Key	ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀O₃

1,3-Diphenylacetone, 99%, Thermo Scientific Chemicals

CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00004795 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: O=C(CC1=CC=CC=C1)CC1=CC=CC=C1

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Linear 1 3-diarylpropanoids

PubChem CID	7593
CAS	102-04-5
Molecular Weight (g/mol)	210.28
MDL Number	MFCD00004795
SMILES	O=C(CC1=CC=CC=C1)CC1=CC=CC=C1
Synonym	1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397
IUPAC Name	1,3-diphenylpropan-2-one
InChI Key	YFKBXYGUSOXJGS-UHFFFAOYSA-N
Molecular Formula	C15H14O

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