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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 (265)
Coumarins and derivatives (258)
Flavonoids (172)
Phenylpropanoic acids (165)
Linear 1 3-diarylpropanoids (139)
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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Keyword Search:
1 – 15 of 675 results
1

4',5-Dihydroxy-7-methoxyflavone, 97%

CAS: 437-64-9 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.267 MDL Number: MFCD00017452 InChI Key: JPMYFOBNRRGFNO-UHFFFAOYSA-N Synonym: genkwanin,gengkwanin,4',5-dihydroxy-7-methoxyflavone,5,4'-dihydroxy-7-methoxyflavone,7-o-methylapigenin,7-methylapigenin,apigenin 7-methyl ether,puddumetin,gonkwanin,unii-5k3i5d6b2b PubChem CID: 5281617 ChEBI: CHEBI:75718 IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O

PubChem CID 5281617
CAS 437-64-9
Molecular Weight (g/mol) 284.267
ChEBI CHEBI:75718
MDL Number MFCD00017452
SMILES COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Synonym genkwanin,gengkwanin,4',5-dihydroxy-7-methoxyflavone,5,4'-dihydroxy-7-methoxyflavone,7-o-methylapigenin,7-methylapigenin,apigenin 7-methyl ether,puddumetin,gonkwanin,unii-5k3i5d6b2b
IUPAC Name 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
InChI Key JPMYFOBNRRGFNO-UHFFFAOYSA-N
Molecular Formula C16H12O5
2

1,1,3-Triphenylpropargyl alcohol, 97%

CAS: 1522-13-0 Molecular Formula: C21H16O Molecular Weight (g/mol): 284.36 MDL Number: MFCD00004449 InChI Key: VWRQCJRTHKUVNF-UHFFFAOYSA-N Synonym: 1,1,3-triphenylpropargyl alcohol,1,1,3-triphenyl-2-propyn-1-ol,diphenyl phenylethynyl carbinol,benzenemethanol, .alpha.-phenyl-.alpha.-phenylethynyl,triphenylprop-2-yn-1-ol,1,1,3-triphenylpropargylalcohol,2-propyn-1-ol, 1,1,3-triphenyl,pubchem14025,acmc-209d7i,triphenyl-1-propyne-3-ol PubChem CID: 137058 IUPAC Name: 1,1,3-triphenylprop-2-yn-1-ol SMILES: OC(C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 137058
CAS 1522-13-0
Molecular Weight (g/mol) 284.36
MDL Number MFCD00004449
SMILES OC(C#CC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1,1,3-triphenylpropargyl alcohol,1,1,3-triphenyl-2-propyn-1-ol,diphenyl phenylethynyl carbinol,benzenemethanol, .alpha.-phenyl-.alpha.-phenylethynyl,triphenylprop-2-yn-1-ol,1,1,3-triphenylpropargylalcohol,2-propyn-1-ol, 1,1,3-triphenyl,pubchem14025,acmc-209d7i,triphenyl-1-propyne-3-ol
IUPAC Name 1,1,3-triphenylprop-2-yn-1-ol
InChI Key VWRQCJRTHKUVNF-UHFFFAOYSA-N
Molecular Formula C21H16O
3

4-(Bromomethyl)-7-methoxycoumarin, 97%

CAS: 35231-44-8 Molecular Formula: C11H9BrO3 Molecular Weight (g/mol): 269.09 MDL Number: MFCD00006869 InChI Key: CTENSLORRMFPDH-UHFFFAOYSA-N Synonym: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin PubChem CID: 121894 IUPAC Name: 4-(bromomethyl)-7-methoxychromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1

PubChem CID 121894
CAS 35231-44-8
Molecular Weight (g/mol) 269.09
MDL Number MFCD00006869
SMILES COC1=CC=C2C(CBr)=CC(=O)OC2=C1
Synonym 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin
IUPAC Name 4-(bromomethyl)-7-methoxychromen-2-one
InChI Key CTENSLORRMFPDH-UHFFFAOYSA-N
Molecular Formula C11H9BrO3
4

4-Hydroxy-7-methoxycoumarin, 95%

CAS: 17575-15-4 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00673700 InChI Key: HFGKBQZAHZKDLV-UHFFFAOYSA-N PubChem CID: 54691408 IUPAC Name: 4-hydroxy-7-methoxychromen-2-one SMILES: COC1=CC=C2C(=O)C=C(O)OC2=C1

PubChem CID 54691408
CAS 17575-15-4
Molecular Weight (g/mol) 192.17
MDL Number MFCD00673700
SMILES COC1=CC=C2C(=O)C=C(O)OC2=C1
IUPAC Name 4-hydroxy-7-methoxychromen-2-one
InChI Key HFGKBQZAHZKDLV-UHFFFAOYSA-N
Molecular Formula C10H8O4
5

3-(4-n-Propoxyphenyl)propionic acid, 96%

CAS: 3243-40-1 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00484121 InChI Key: SOFMLHAGBATXNZ-UHFFFAOYSA-N Synonym: 3-4-propoxyphenyl propanoic acid,3-4-propoxy-phenyl-propionic acid,benzenepropanoic acid,4-propoxy,3-4-n-propoxyphenyl propionic acid,cbmicro_011397,cambridge id 5152838,4-propoxy-benzenepropanoic acid,3-4-n-propoxyphenyl propanoic acid PubChem CID: 2255935 IUPAC Name: 3-(4-propoxyphenyl)propanoic acid SMILES: CCCOC1=CC=C(C=C1)CCC(=O)O

PubChem CID 2255935
CAS 3243-40-1
Molecular Weight (g/mol) 208.257
MDL Number MFCD00484121
SMILES CCCOC1=CC=C(C=C1)CCC(=O)O
Synonym 3-4-propoxyphenyl propanoic acid,3-4-propoxy-phenyl-propionic acid,benzenepropanoic acid,4-propoxy,3-4-n-propoxyphenyl propionic acid,cbmicro_011397,cambridge id 5152838,4-propoxy-benzenepropanoic acid,3-4-n-propoxyphenyl propanoic acid
IUPAC Name 3-(4-propoxyphenyl)propanoic acid
InChI Key SOFMLHAGBATXNZ-UHFFFAOYSA-N
Molecular Formula C12H16O3
6

3-(2,6-Dichlorophenyl)propionic acid, 96%

CAS: 51656-68-9 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD01310807 InChI Key: IDEOVPXKPDUXTP-UHFFFAOYSA-N PubChem CID: 2758192 IUPAC Name: 3-(2,6-dichlorophenyl)propanoic acid SMILES: C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl

PubChem CID 2758192
CAS 51656-68-9
Molecular Weight (g/mol) 219.061
MDL Number MFCD01310807
SMILES C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl
IUPAC Name 3-(2,6-dichlorophenyl)propanoic acid
InChI Key IDEOVPXKPDUXTP-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O2
7

3-[3-(Benzyloxy)phenyl]propionic acid, 96%

CAS: 57668-34-5 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD09258905 InChI Key: HVXOYUOKPLHWNU-UHFFFAOYSA-N Synonym: 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid PubChem CID: 21938504 IUPAC Name: 3-(3-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O

PubChem CID 21938504
CAS 57668-34-5
Molecular Weight (g/mol) 256.301
MDL Number MFCD09258905
SMILES C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O
Synonym 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid
IUPAC Name 3-(3-phenylmethoxyphenyl)propanoic acid
InChI Key HVXOYUOKPLHWNU-UHFFFAOYSA-N
Molecular Formula C16H16O3
8

Morin hydrate

CAS: 654055-01-3 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.24 MDL Number: MFCD00217054 InChI Key: YXOLAZRVSSWPPT-UHFFFAOYSA-N Synonym: morin hydrate,morinhydrate,bois d,arc hydrate,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,morin hydrate, powder,morin flavonol,morin hydrate aurantica,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate,2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone PubChem CID: 16219651 IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

PubChem CID 16219651
CAS 654055-01-3
Molecular Weight (g/mol) 302.24
MDL Number MFCD00217054
SMILES OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Synonym morin hydrate,morinhydrate,bois d,arc hydrate,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,morin hydrate, powder,morin flavonol,morin hydrate aurantica,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate,2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone
IUPAC Name 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
InChI Key YXOLAZRVSSWPPT-UHFFFAOYSA-N
Molecular Formula C15H10O7
9

Thermo Scientific Chemicals Hesperidin, 90+%

CAS: 520-26-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.57 MDL Number: MFCD00075663 InChI Key: QUQPHWDTPGMPEX-QJBIFVCTSA-N PubChem CID: 45358131 SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1

PubChem CID 45358131
CAS 520-26-3
Molecular Weight (g/mol) 610.57
MDL Number MFCD00075663
SMILES COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
InChI Key QUQPHWDTPGMPEX-QJBIFVCTSA-N
Molecular Formula C28H34O15
10

Paraffin, pure, wax, granular

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

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
11

Coumarin-3-carboxylic acid, 98%

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.15 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

PubChem CID 10752
CAS 531-81-7
Molecular Weight (g/mol) 190.15
MDL Number MFCD00006852
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
Synonym coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van
IUPAC Name 2-oxochromene-3-carboxylic acid
InChI Key ACMLKANOGIVEPB-UHFFFAOYSA-N
Molecular Formula C10H6O4
12

(R)-3-(Boc-amino)-3-phenylpropionic acid, 95%, Thermo Scientific Chemicals

CAS: 161024-80-2 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01320859 InChI Key: JTNQFJPZRTURSI-LLVKDONJSA-N Synonym: r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid PubChem CID: 7009108 IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 7009108
CAS 161024-80-2
Molecular Weight (g/mol) 265.309
MDL Number MFCD01320859
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid
IUPAC Name (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-LLVKDONJSA-N
Molecular Formula C14H19NO4
13

(S)-3-(Boc-amino)-3-phenylpropionic acid, 95%

CAS: 103365-47-5 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01860892 InChI Key: JTNQFJPZRTURSI-NSHDSACASA-N Synonym: boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid PubChem CID: 2734490 IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 2734490
CAS 103365-47-5
Molecular Weight (g/mol) 265.309
MDL Number MFCD01860892
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid
IUPAC Name (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-NSHDSACASA-N
Molecular Formula C14H19NO4
14

1,3-Diphenyl-2-propyn-1-ol, tech. 90%

CAS: 1817-49-8 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD06654198 InChI Key: DZZWMODRWHHWFR-UHFFFAOYSA-N Synonym: 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol PubChem CID: 296659 IUPAC Name: 1,3-diphenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O

PubChem CID 296659
CAS 1817-49-8
Molecular Weight (g/mol) 208.26
MDL Number MFCD06654198
SMILES C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O
Synonym 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol
IUPAC Name 1,3-diphenylprop-2-yn-1-ol
InChI Key DZZWMODRWHHWFR-UHFFFAOYSA-N
Molecular Formula C15H12O
15

trans-2-Methyl-3-phenyl-2-propen-1-ol, 95%

CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO

PubChem CID 6393846
CAS 1504-55-8
Molecular Weight (g/mol) 148.2
SMILES CC(=CC1=CC=CC=C1)CO
Synonym 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol
IUPAC Name (E)-2-methyl-3-phenylprop-2-en-1-ol
InChI Key LLNAMUJRIZIXHF-VQHVLOKHSA-N
Molecular Formula C10H12O