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.

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256 – 270 of 3,622 results

256

p-Hydroxycinnamic acid, 98%, predominantly trans

CAS: 501-98-4 Molecular Formula: C₉H₈O₃ Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004399 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

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Specifications

PubChem CID	637542
CAS	501-98-4
Molecular Weight (g/mol)	164.16
ChEBI	CHEBI:32374
MDL Number	MFCD00004399
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

257

alpha-Methylhydrocinnamic acid, 98%

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYNA-N Synonym: 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,# PubChem CID: 99862 IUPAC Name: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	99862
CAS	1009-67-2
Molecular Weight (g/mol)	164.20
MDL Number	MFCD00192301
SMILES	CC(CC1=CC=CC=C1)C(O)=O
Synonym	2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,#
IUPAC Name	2-methyl-3-phenylpropanoic acid
InChI Key	MCIIDRLDHRQKPH-UHFFFAOYNA-N
Molecular Formula	C10H12O2

258

Paraffin, NF, Spectrum™ Chemical

CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

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Specifications

CAS	8002-74-2
Molecular Weight (g/mol)	341.45
SMILES	CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
IUPAC Name	1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
InChI Key	JWHAUXFOSRPERK-UHFFFAOYNA-N
Molecular Formula	C21H27NO3

259

4,4'-Dichlorochalcone, 98+%

CAS: 19672-59-4 Molecular Formula: C15H10Cl2O Molecular Weight (g/mol): 277.14 MDL Number: MFCD00018704 InChI Key: YMEMCRBNZSLQCQ-XCVCLJGOSA-N Synonym: 4,4'-dichlorochalcone,e-1,3-bis-4-chloro-phenyl-propenone,e-1,3-bis 4-chlorophenyl prop-2-en-1-one,2e-1,3-bis 4-chlorophenyl prop-2-en-1-one,2e-1,3-bis 4-chlorophenyl-2-propen-1-one,4',4-dichlorochalcone,e-4,4'-dichlorochalcone,trans-1,3-di-4-chlorophenyl-prop-2-en-1-one PubChem CID: 5377011 IUPAC Name: (E)-1,3-bis(4-chlorophenyl)prop-2-en-1-one SMILES: ClC1=CC=C(\C=C\C(=O)C2=CC=C(Cl)C=C2)C=C1

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Specifications

PubChem CID	5377011
CAS	19672-59-4
Molecular Weight (g/mol)	277.14
MDL Number	MFCD00018704
SMILES	ClC1=CC=C(\C=C\C(=O)C2=CC=C(Cl)C=C2)C=C1
Synonym	4,4'-dichlorochalcone,e-1,3-bis-4-chloro-phenyl-propenone,e-1,3-bis 4-chlorophenyl prop-2-en-1-one,2e-1,3-bis 4-chlorophenyl prop-2-en-1-one,2e-1,3-bis 4-chlorophenyl-2-propen-1-one,4',4-dichlorochalcone,e-4,4'-dichlorochalcone,trans-1,3-di-4-chlorophenyl-prop-2-en-1-one
IUPAC Name	(E)-1,3-bis(4-chlorophenyl)prop-2-en-1-one
InChI Key	YMEMCRBNZSLQCQ-XCVCLJGOSA-N
Molecular Formula	C15H10Cl2O

260

Dibenzyl ketoxime, 98+%

CAS: 1788-31-4 Molecular Formula: C15H15NO Molecular Weight (g/mol): 225.291 MDL Number: MFCD00015453 InChI Key: SXEBLVKLMOIGER-UHFFFAOYSA-N Synonym: dibenzyl ketoxime,1,3-diphenylacetone oxime,1,3-diphenylpropan-2-one oxime,2-propanone, 1,3-diphenyl-, oxime,n-1,3-diphenylpropan-2-ylidene hydroxylamine,2-hydroxyimino-1,3-diphenylpropane,dibenzylketoxim,maybridge4_000477,dibenzyl ketoxime, 98+%,1,3-diphenylacetone oxime # PubChem CID: 74518 IUPAC Name: N-(1,3-diphenylpropan-2-ylidene)hydroxylamine SMILES: C1=CC=C(C=C1)CC(=NO)CC2=CC=CC=C2

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Specifications

PubChem CID	74518
CAS	1788-31-4
Molecular Weight (g/mol)	225.291
MDL Number	MFCD00015453
SMILES	C1=CC=C(C=C1)CC(=NO)CC2=CC=CC=C2
Synonym	dibenzyl ketoxime,1,3-diphenylacetone oxime,1,3-diphenylpropan-2-one oxime,2-propanone, 1,3-diphenyl-, oxime,n-1,3-diphenylpropan-2-ylidene hydroxylamine,2-hydroxyimino-1,3-diphenylpropane,dibenzylketoxim,maybridge4_000477,dibenzyl ketoxime, 98+%,1,3-diphenylacetone oxime #
IUPAC Name	N-(1,3-diphenylpropan-2-ylidene)hydroxylamine
InChI Key	SXEBLVKLMOIGER-UHFFFAOYSA-N
Molecular Formula	C15H15NO

261

(-)-Gallocatechin

CAS: 3371-27-5 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD01632616 InChI Key: XMOCLSLCDHWDHP-DOMZBBRYSA-N Synonym: --gallocatechin,2s,3r-2-3,4,5-trihydroxyphenyl chroman-3,5,7-triol,2s,3r-gallocatechin,ent-gallocatechin,2s,3r-flavan-3,3',4',5,5',7-hexol,2s,3r-flavan-3,5,7,3',4',5'-hexol,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,2s,3r---2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,gallocatechingc,l-gallocatechin PubChem CID: 9882981 ChEBI: CHEBI:71225 IUPAC Name: (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O

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Specifications

PubChem CID	9882981
CAS	3371-27-5
Molecular Weight (g/mol)	306.27
ChEBI	CHEBI:71225
MDL Number	MFCD01632616
SMILES	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
Synonym	--gallocatechin,2s,3r-2-3,4,5-trihydroxyphenyl chroman-3,5,7-triol,2s,3r-gallocatechin,ent-gallocatechin,2s,3r-flavan-3,3',4',5,5',7-hexol,2s,3r-flavan-3,5,7,3',4',5'-hexol,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,2s,3r---2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,gallocatechingc,l-gallocatechin
IUPAC Name	(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI Key	XMOCLSLCDHWDHP-DOMZBBRYSA-N
Molecular Formula	C15H14O7

262

4-Methoxycinnamic acid, 99%

CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O

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Specifications

PubChem CID	699414
CAS	830-09-1
Molecular Weight (g/mol)	178.187
MDL Number	MFCD00004398
SMILES	COC1=CC=C(C=C1)C=CC(=O)O
Synonym	4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name	(E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key	AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula	C10H10O3

263

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

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Specifications

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

264

1,3-Diphenyl-1,3-propanedione, 98+%

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

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Specifications

PubChem CID	8433
CAS	120-46-7
Molecular Weight (g/mol)	224.259
ChEBI	CHEBI:75417
MDL Number	MFCD00003085
SMILES	C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Synonym	dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc
IUPAC Name	1,3-diphenylpropane-1,3-dione
InChI Key	NZZIMKJIVMHWJC-UHFFFAOYSA-N
Molecular Formula	C15H12O2

265

4-Methoxychalcone, 97%

CAS: 959-33-1 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00017179 InChI Key: XUFXKBJMCRJATM-FMIVXFBMSA-N Synonym: 4-methoxychalcone,e-3-4-methoxyphenyl-1-phenylprop-2-en-1-one,2e-3-4-methoxyphenyl-1-phenylprop-2-en-1-one,chalcone, 4-methoxy,3-4-methoxyphenyl-1-phenyl-2-propen-1-one,2-propen-1-one, 3-4-methoxyphenyl-1-phenyl,2-propen-1-one, 3-4-methoxyphenyl-1-phenyl-, 2e,phenyl p-methoxystyryl ketone,4'-methoxybenzylideneacetophenone,3-4-methoxyphenyl-1-phenylprop-2-en-1-one PubChem CID: 641819 IUPAC Name: (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2

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Specifications

PubChem CID	641819
CAS	959-33-1
Molecular Weight (g/mol)	238.286
MDL Number	MFCD00017179
SMILES	COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
Synonym	4-methoxychalcone,e-3-4-methoxyphenyl-1-phenylprop-2-en-1-one,2e-3-4-methoxyphenyl-1-phenylprop-2-en-1-one,chalcone, 4-methoxy,3-4-methoxyphenyl-1-phenyl-2-propen-1-one,2-propen-1-one, 3-4-methoxyphenyl-1-phenyl,2-propen-1-one, 3-4-methoxyphenyl-1-phenyl-, 2e,phenyl p-methoxystyryl ketone,4'-methoxybenzylideneacetophenone,3-4-methoxyphenyl-1-phenylprop-2-en-1-one
IUPAC Name	(E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
InChI Key	XUFXKBJMCRJATM-FMIVXFBMSA-N
Molecular Formula	C16H14O2

266

Ascomycin, 95%

CAS: 104987-12-4 Molecular Formula: C43H69NO12 Molecular Weight (g/mol): 792.02 MDL Number: MFCD06198665 InChI Key: ZDQSOHOQTUFQEM-NURRSENYSA-N Synonym: ascomycin,immunomycin,unii-auf4u5nsjk,ascomycin fk520,auf4u5nsjk,chembl8597,15,19-epoxy-3h-pyrido 2,1-c 1,4 oxaazacyclotricosine-1,7,20,21 4h,23h-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-2-4-hydroxy-3-methoxycyclohexyl-1-methylethenyl-14,16-dimethoxy-4,10,12,18-tetram,ascomycin from streptomyces hygroscopicus var. ascomyceticus,15,19-epoxy-3h-pyrido 2,1-c 1,4 oxaazacyclotricosine-1,7,20,21 4h,23h-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-2-4-hydroxy-3-methoxycyclohexyl-1-methylethenyl-14,16-dimethoxy-4,10,12,18-tetramethyl-, 3s-3r* e 1s*,3s*,4s* ,4s*,19s*,26ar*,ascomycin fk 520, fr 900520, imm PubChem CID: 5282071 ChEBI: CHEBI:29582 SMILES: CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C

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Specifications

PubChem CID	5282071
CAS	104987-12-4
Molecular Weight (g/mol)	792.02
ChEBI	CHEBI:29582
MDL Number	MFCD06198665
SMILES	CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C
Synonym	ascomycin,immunomycin,unii-auf4u5nsjk,ascomycin fk520,auf4u5nsjk,chembl8597,15,19-epoxy-3h-pyrido 2,1-c 1,4 oxaazacyclotricosine-1,7,20,21 4h,23h-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-2-4-hydroxy-3-methoxycyclohexyl-1-methylethenyl-14,16-dimethoxy-4,10,12,18-tetram,ascomycin from streptomyces hygroscopicus var. ascomyceticus,15,19-epoxy-3h-pyrido 2,1-c 1,4 oxaazacyclotricosine-1,7,20,21 4h,23h-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-2-4-hydroxy-3-methoxycyclohexyl-1-methylethenyl-14,16-dimethoxy-4,10,12,18-tetramethyl-, 3s-3r* e 1s,3s,4s* ,4s,19s,26ar*,ascomycin fk 520, fr 900520, imm
InChI Key	ZDQSOHOQTUFQEM-NURRSENYSA-N
Molecular Formula	C43H69NO12

267

7-Hydroxycoumarin, 98%

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC Name: 7-hydroxychromen-2-one SMILES: OC1=CC=C2C=CC(=O)OC2=C1

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Specifications

PubChem CID	5281426
CAS	93-35-6
Molecular Weight (g/mol)	162.14
ChEBI	CHEBI:27510
MDL Number	MFCD00006878
SMILES	OC1=CC=C2C=CC(=O)OC2=C1
Synonym	7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
IUPAC Name	7-hydroxychromen-2-one
InChI Key	ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula	C9H6O3

268

Carbidopa monohydrate, 99%

CAS: 38821-49-7 Molecular Formula: C₁₀H₁₄N₂O₄·H₂O Molecular Weight (g/mol): 244.25 InChI Key: QTAOMKOIBXZKND-PPHPATTJSA-N Synonym: 3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate PubChem CID: 38101 ChEBI: CHEBI:3395 IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O

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Specifications

PubChem CID	38101
CAS	38821-49-7
Molecular Weight (g/mol)	244.25
ChEBI	CHEBI:3395
SMILES	CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O
Synonym	3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate
IUPAC Name	(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate
InChI Key	QTAOMKOIBXZKND-PPHPATTJSA-N
Molecular Formula	C₁₀H₁₄N₂O₄·H₂O

269

3,3'-Carbonylbis(7-diethylaminocoumarin), 99%

CAS: 63226-13-1 Molecular Formula: C₂₇H₂₈N₂O₅ Molecular Weight (g/mol): 460.52 MDL Number: MFCD00050047 InChI Key: SANIRTQDABNCHF-UHFFFAOYSA-N Synonym: 3,3'-carbonylbis 7-diethylaminocoumarin,3,3'-carbonylbis 7-diethylamino-2h-chromen-2-one,2h-1-benzopyran-2-one, 3,3'-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxochromene-3-carbonyl chromen-2-one,7-diethylamino-3-7-diethylamino-2-oxochromen-3-yl carbonyl chromen-2-one,3,3'-carbonyl-bis-7-diethylaminocoumarin,2h-1-benzopyran-2-one, 3,3-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxo-2h-chromen-3-yl carbonyl-2h-ch romen-2-one PubChem CID: 113160 IUPAC Name: 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O

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Specifications

PubChem CID	113160
CAS	63226-13-1
Molecular Weight (g/mol)	460.52
MDL Number	MFCD00050047
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O
Synonym	3,3'-carbonylbis 7-diethylaminocoumarin,3,3'-carbonylbis 7-diethylamino-2h-chromen-2-one,2h-1-benzopyran-2-one, 3,3'-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxochromene-3-carbonyl chromen-2-one,7-diethylamino-3-7-diethylamino-2-oxochromen-3-yl carbonyl chromen-2-one,3,3'-carbonyl-bis-7-diethylaminocoumarin,2h-1-benzopyran-2-one, 3,3-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxo-2h-chromen-3-yl carbonyl-2h-ch romen-2-one
IUPAC Name	7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one
InChI Key	SANIRTQDABNCHF-UHFFFAOYSA-N
Molecular Formula	C₂₇H₂₈N₂O₅

270

Phloretin, 98%

CAS: 60-82-2 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.272 MDL Number: MFCD00002288 InChI Key: VGEREEWJJVICBM-UHFFFAOYSA-N Synonym: phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone PubChem CID: 4788 ChEBI: CHEBI:17276 IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O

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Specifications

PubChem CID	4788
CAS	60-82-2
Molecular Weight (g/mol)	274.272
ChEBI	CHEBI:17276
MDL Number	MFCD00002288
SMILES	C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
Synonym	phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone
IUPAC Name	3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI Key	VGEREEWJJVICBM-UHFFFAOYSA-N
Molecular Formula	C15H14O5

Phenylpropanoids and polyketides

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