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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 (941)
Flavonoids (930)
Linear 1 3-diarylpropanoids (797)
Coumarins and derivatives (715)
Depsides and depsidones (521)
Phenylpropanoic acids (342)
Isoflavonoids (222)
Cinnamaldehydes (133)
Stilbenes (111)
Macrolide lactams (92)
Anthracyclines (90)
Macrolides and analogues (74)
Tetracyclines (64)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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601 – 615 of 4,456 results
601

4'-Hydroxychalcone 95.0+%, TCI America™

CAS: 2657-25-2 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00016484 InChI Key: UAHGNXFYLAJDIN-IZZDOVSWSA-N Synonym: 4'-hydroxychalcone,chalcone, 4'-hydroxy,1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,2e-1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,p-cinnamoylphenol,2-benzal-4'-hydroxyacetophenone,hydroxychalcone, 4',2-propen-1-one, 1-4-hydroxyphenyl-3-phenyl,unii-2k338k8uoa,e-1-4-hydroxyphenyl-3-phenyl-prop-2-en-1-one PubChem CID: 5282362 ChEBI: CHEBI:34360 IUPAC Name: (E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O

PubChem CID 5282362
CAS 2657-25-2
Molecular Weight (g/mol) 224.259
ChEBI CHEBI:34360
MDL Number MFCD00016484
SMILES C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O
Synonym 4'-hydroxychalcone,chalcone, 4'-hydroxy,1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,2e-1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,p-cinnamoylphenol,2-benzal-4'-hydroxyacetophenone,hydroxychalcone, 4',2-propen-1-one, 1-4-hydroxyphenyl-3-phenyl,unii-2k338k8uoa,e-1-4-hydroxyphenyl-3-phenyl-prop-2-en-1-one
IUPAC Name (E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one
InChI Key UAHGNXFYLAJDIN-IZZDOVSWSA-N
Molecular Formula C15H12O2
602

3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine Sesquihydrate 98.0+%, TCI America™

CAS: 555-30-6 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.217 MDL Number: MFCD00004186 InChI Key: CJCSPKMFHVPWAR-JTQLQIEISA-N Synonym: methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin PubChem CID: 38853 ChEBI: CHEBI:61058 IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N

PubChem CID 38853
CAS 555-30-6
Molecular Weight (g/mol) 211.217
ChEBI CHEBI:61058
MDL Number MFCD00004186
SMILES CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N
Synonym methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin
IUPAC Name (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
InChI Key CJCSPKMFHVPWAR-JTQLQIEISA-N
Molecular Formula C10H13NO4
603

4,4'-Dichlorochalcone 98.0+%, TCI America™

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: (2E)-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

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 (2E)-1,3-bis(4-chlorophenyl)prop-2-en-1-one
InChI Key YMEMCRBNZSLQCQ-XCVCLJGOSA-N
Molecular Formula C15H10Cl2O
604

3,4,9,10-Perylenetetracarboxylic Dianhydride 98.0+%, TCI America™

CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride PubChem CID: 67191 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56

PubChem CID 67191
CAS 128-69-8
Molecular Weight (g/mol) 392.32
MDL Number MFCD00006916
SMILES O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56
Synonym 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride
IUPAC Name 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
InChI Key CLYVDMAATCIVBF-UHFFFAOYSA-N
Molecular Formula C24H8O6
605

L-(-)-3-Phenyllactic Acid 98.0+%, TCI America™

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoate SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

PubChem CID 444718
CAS 20312-36-1
Molecular Weight (g/mol) 165.17
ChEBI CHEBI:43065
MDL Number MFCD00004244
SMILES O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name (2S)-2-hydroxy-3-phenylpropanoate
InChI Key VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula C9H9O3
606

Iopanoic Acid 98.0+%, TCI America™

CAS: 96-83-3 Molecular Formula: C11H12I3NO2 Molecular Weight (g/mol): 570.935 MDL Number: MFCD00038687 InChI Key: OIRFJRBSRORBCM-UHFFFAOYSA-N Synonym: 3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid, 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid, Iodopanoic Acid, 2-(3-Amino-2,4,6-triiodobenzyl)butyric Acid PubChem CID: 3735 ChEBI: CHEBI:5951 IUPAC Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid SMILES: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O

PubChem CID 3735
CAS 96-83-3
Molecular Weight (g/mol) 570.935
ChEBI CHEBI:5951
MDL Number MFCD00038687
SMILES CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
Synonym 3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid, 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid, Iodopanoic Acid, 2-(3-Amino-2,4,6-triiodobenzyl)butyric Acid
IUPAC Name 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
InChI Key OIRFJRBSRORBCM-UHFFFAOYSA-N
Molecular Formula C11H12I3NO2
607

2-[4-(Bromomethyl)phenyl]propionic Acid 98.0+%, TCI America™

CAS: 111128-12-2 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD02093445 InChI Key: QQXBRVQJMKBAOZ-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid PubChem CID: 2733978 IUPAC Name: 2-[4-(bromomethyl)phenyl]propanoic acid SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O

PubChem CID 2733978
CAS 111128-12-2
Molecular Weight (g/mol) 243.1
MDL Number MFCD02093445
SMILES CC(C1=CC=C(C=C1)CBr)C(=O)O
Synonym 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid
IUPAC Name 2-[4-(bromomethyl)phenyl]propanoic acid
InChI Key QQXBRVQJMKBAOZ-UHFFFAOYSA-N
Molecular Formula C10H11BrO2
608

1,3-Diphenylpropane 95.0+%, TCI America™

CAS: 1081-75-0 Molecular Formula: C15H16 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00043574 InChI Key: VEAFKIYNHVBNIP-UHFFFAOYSA-N Synonym: 1,3-diphenylpropane,3-phenylpropyl benzene,dibenzylmethane,propane, 1,3-diphenyl,unii-x3diq9w9po,3-phenyl-propyl-benzene,x3diq9w9po,benzene, 1,1'-1,3-propanediyl bis,propane, 1,3-diphenyl-8ci,benzene, 1,1'-1,3-propanediyl bis-9ci PubChem CID: 14125 ChEBI: CHEBI:34060 IUPAC Name: (3-phenylpropyl)benzene SMILES: C(CC1=CC=CC=C1)CC1=CC=CC=C1

PubChem CID 14125
CAS 1081-75-0
Molecular Weight (g/mol) 196.29
ChEBI CHEBI:34060
MDL Number MFCD00043574
SMILES C(CC1=CC=CC=C1)CC1=CC=CC=C1
Synonym 1,3-diphenylpropane,3-phenylpropyl benzene,dibenzylmethane,propane, 1,3-diphenyl,unii-x3diq9w9po,3-phenyl-propyl-benzene,x3diq9w9po,benzene, 1,1'-1,3-propanediyl bis,propane, 1,3-diphenyl-8ci,benzene, 1,1'-1,3-propanediyl bis-9ci
IUPAC Name (3-phenylpropyl)benzene
InChI Key VEAFKIYNHVBNIP-UHFFFAOYSA-N
Molecular Formula C15H16
609

6-Methylcoumarin 99.0+%, TCI America™

CAS: 92-48-8 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00006875 InChI Key: FXFYOPQLGGEACP-UHFFFAOYSA-N Synonym: 6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin PubChem CID: 7092 ChEBI: CHEBI:563586 IUPAC Name: 6-methyl-2H-chromen-2-one SMILES: CC1=CC=C2OC(=O)C=CC2=C1

PubChem CID 7092
CAS 92-48-8
Molecular Weight (g/mol) 160.17
ChEBI CHEBI:563586
MDL Number MFCD00006875
SMILES CC1=CC=C2OC(=O)C=CC2=C1
Synonym 6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin
IUPAC Name 6-methyl-2H-chromen-2-one
InChI Key FXFYOPQLGGEACP-UHFFFAOYSA-N
Molecular Formula C10H8O2
610

6-Chloro-4-hydroxycoumarin 97.0+%, TCI America™

CAS: 19484-57-2 Molecular Formula: C9H5ClO3 Molecular Weight (g/mol): 196.59 MDL Number: MFCD00239399 InChI Key: UJHIADILZZWIED-UHFFFAOYSA-N Synonym: 6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin PubChem CID: 54686348 IUPAC Name: 6-chloro-2-hydroxy-4H-chromen-4-one SMILES: OC1=CC(=O)C2=CC(Cl)=CC=C2O1

PubChem CID 54686348
CAS 19484-57-2
Molecular Weight (g/mol) 196.59
MDL Number MFCD00239399
SMILES OC1=CC(=O)C2=CC(Cl)=CC=C2O1
Synonym 6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin
IUPAC Name 6-chloro-2-hydroxy-4H-chromen-4-one
InChI Key UJHIADILZZWIED-UHFFFAOYSA-N
Molecular Formula C9H5ClO3
611

6-Bromo-4-hydroxycoumarin 98.0+%, TCI America™

CAS: 4139-61-1 Molecular Formula: C9H5BrO3 Molecular Weight (g/mol): 241.04 MDL Number: MFCD00239372 InChI Key: KNMCTCABMSGXGR-UHFFFAOYSA-N PubChem CID: 54691404 IUPAC Name: 6-bromo-4-hydroxychromen-2-one SMILES: C1=CC2=C(C=C1Br)C(=CC(=O)O2)O

PubChem CID 54691404
CAS 4139-61-1
Molecular Weight (g/mol) 241.04
MDL Number MFCD00239372
SMILES C1=CC2=C(C=C1Br)C(=CC(=O)O2)O
IUPAC Name 6-bromo-4-hydroxychromen-2-one
InChI Key KNMCTCABMSGXGR-UHFFFAOYSA-N
Molecular Formula C9H5BrO3
612

7-(Diethylamino)coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 51473-74-6 Molecular Formula: C14H14N2O2 Molecular Weight (g/mol): 242.278 MDL Number: MFCD00068688 InChI Key: LOUYEVRVQGFIFB-UHFFFAOYSA-N Synonym: 3-Cyano-7-(diethylamino)coumarin PubChem CID: 688937 IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbonitrile SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N

PubChem CID 688937
CAS 51473-74-6
Molecular Weight (g/mol) 242.278
MDL Number MFCD00068688
SMILES CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N
Synonym 3-Cyano-7-(diethylamino)coumarin
IUPAC Name 7-(diethylamino)-2-oxochromene-3-carbonitrile
InChI Key LOUYEVRVQGFIFB-UHFFFAOYSA-N
Molecular Formula C14H14N2O2
613

8-Acetyl-7-hydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2555-29-5 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00100602 InChI Key: WZOMQVFUPMLOGT-UHFFFAOYSA-N Synonym: 8-Acetyl-4-methylumbelliferone PubChem CID: 5324648 IUPAC Name: 8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one SMILES: CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O

PubChem CID 5324648
CAS 2555-29-5
Molecular Weight (g/mol) 218.21
MDL Number MFCD00100602
SMILES CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O
Synonym 8-Acetyl-4-methylumbelliferone
IUPAC Name 8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one
InChI Key WZOMQVFUPMLOGT-UHFFFAOYSA-N
Molecular Formula C12H10O4
614

4-Hydroxy-3-nitrocoumarin 98.0+%, TCI America™

CAS: 20261-31-8 Molecular Formula: C9H5NO5 Molecular Weight (g/mol): 207.141 MDL Number: MFCD00051671 InChI Key: NZQAQAUWFHMVEM-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrocoumarin,4-hydroxy-3-nitro-2h-chromen-2-one,3-nitro-4-hydroxycoumarin,2h-1-benzopyran-2-one, 4-hydroxy-3-nitro,2-hydroxy-3-nitrochromen-4-one,4-hydroxy-3-nitro-chromen-2-one,2h-1-benzopyran-2-one,4-hydroxy-3-nitro,4-hydroxy-3-hydroxy oxido amino-2h-chromen-2-one,acmc-20amh1,maybridge1_005221 PubChem CID: 54682640 IUPAC Name: 4-hydroxy-3-nitrochromen-2-one SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O

PubChem CID 54682640
CAS 20261-31-8
Molecular Weight (g/mol) 207.141
MDL Number MFCD00051671
SMILES C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O
Synonym 4-hydroxy-3-nitrocoumarin,4-hydroxy-3-nitro-2h-chromen-2-one,3-nitro-4-hydroxycoumarin,2h-1-benzopyran-2-one, 4-hydroxy-3-nitro,2-hydroxy-3-nitrochromen-4-one,4-hydroxy-3-nitro-chromen-2-one,2h-1-benzopyran-2-one,4-hydroxy-3-nitro,4-hydroxy-3-hydroxy oxido amino-2h-chromen-2-one,acmc-20amh1,maybridge1_005221
IUPAC Name 4-hydroxy-3-nitrochromen-2-one
InChI Key NZQAQAUWFHMVEM-UHFFFAOYSA-N
Molecular Formula C9H5NO5
615

7-Hydroxy-4-methylcoumarin-3-acetic Acid 97.0+%, TCI America™

CAS: 5852-10-8 Molecular Formula: C9H6N4O2 Molecular Weight (g/mol): 202.17 MDL Number: MFCD00467589 InChI Key: SGTFZCBIJHVSNT-UHFFFAOYSA-N Synonym: 4-Methylumbelliferone-3-acetic Acid PubChem CID: 5393149 IUPAC Name: 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)O

PubChem CID 5393149
CAS 5852-10-8
Molecular Weight (g/mol) 202.17
MDL Number MFCD00467589
SMILES CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)O
Synonym 4-Methylumbelliferone-3-acetic Acid
IUPAC Name 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
InChI Key SGTFZCBIJHVSNT-UHFFFAOYSA-N
Molecular Formula C9H6N4O2