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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 (932)
Flavonoids (926)
Linear 1 3-diarylpropanoids (793)
Coumarins and derivatives (713)
Depsides and depsidones (520)
Phenylpropanoic acids (342)
Isoflavonoids (220)
Cinnamaldehydes (133)
Stilbenes (110)
Macrolide lactams (92)
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Macrolides and analogues (74)
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Cinnamyl alcohols (60)
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Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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451 – 465 of 4,431 results
451

7-Ethoxy-4-methylcoumarin 97.0+%, TCI America™

CAS: 87-05-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00016971 InChI Key: NKRISXMDKXBVRJ-UHFFFAOYSA-N Synonym: 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one PubChem CID: 66595 IUPAC Name: 7-ethoxy-4-methyl-2H-chromen-2-one SMILES: CCOC1=CC=C2C(C)=CC(=O)OC2=C1

PubChem CID 66595
CAS 87-05-8
Molecular Weight (g/mol) 204.23
MDL Number MFCD00016971
SMILES CCOC1=CC=C2C(C)=CC(=O)OC2=C1
Synonym 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one
IUPAC Name 7-ethoxy-4-methyl-2H-chromen-2-one
InChI Key NKRISXMDKXBVRJ-UHFFFAOYSA-N
Molecular Formula C12H12O3
452

6,7-Methylenedioxy-4-methyl-3-maleimidocoumarin 98.0+%, TCI America™

CAS: 97744-90-6 Molecular Formula: C15H9NO6 Molecular Weight (g/mol): 299.238 MDL Number: MFCD00059921 InChI Key: NSFINZUKLACTRX-UHFFFAOYSA-N Synonym: 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin PubChem CID: 44630383 IUPAC Name: 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione SMILES: CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O

PubChem CID 44630383
CAS 97744-90-6
Molecular Weight (g/mol) 299.238
MDL Number MFCD00059921
SMILES CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O
Synonym 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin
IUPAC Name 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione
InChI Key NSFINZUKLACTRX-UHFFFAOYSA-N
Molecular Formula C15H9NO6
453

N-Succinimidyl 7-Hydroxy-4-methylcoumarin-3-acetate 90.0+%, TCI America™

CAS: 96735-88-5 Molecular Formula: C16H13NO7 Molecular Weight (g/mol): 331.28 MDL Number: MFCD00467590 InChI Key: VODLZKHEKKGCBG-UHFFFAOYSA-N Synonym: 7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester PubChem CID: 5413011 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O

PubChem CID 5413011
CAS 96735-88-5
Molecular Weight (g/mol) 331.28
MDL Number MFCD00467590
SMILES CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O
Synonym 7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
InChI Key VODLZKHEKKGCBG-UHFFFAOYSA-N
Molecular Formula C16H13NO7
454

3-Chloro-7-hydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 6174-86-3 Molecular Formula: C10H7ClO3 Molecular Weight (g/mol): 210.61 MDL Number: MFCD00006851 InChI Key: ODZHLDRQCZXQFQ-UHFFFAOYSA-N Synonym: chlorferone,3-chloro-7-hydroxy-4-methyl-2h-chromen-2-one,3-chloro-4-methyl-7-hydroxycoumarin,chlorferron,3-chloro-7-hydroxy-4-methylcoumarin,7-hydroxy-4-methyl-3-chlorocoumarin,chlorferon,3-chloro-4-methylumbelliferone,3-chloro-7-hydroxy-4-methyl-2-benzopyrone,2h-1-benzopyran-2-one, 3-chloro-7-hydroxy-4-methyl PubChem CID: 5355079 ChEBI: CHEBI:38620 IUPAC Name: 3-chloro-7-hydroxy-4-methyl-2H-chromen-2-one SMILES: CC1=C(Cl)C(=O)OC2=CC(O)=CC=C12

PubChem CID 5355079
CAS 6174-86-3
Molecular Weight (g/mol) 210.61
ChEBI CHEBI:38620
MDL Number MFCD00006851
SMILES CC1=C(Cl)C(=O)OC2=CC(O)=CC=C12
Synonym chlorferone,3-chloro-7-hydroxy-4-methyl-2h-chromen-2-one,3-chloro-4-methyl-7-hydroxycoumarin,chlorferron,3-chloro-7-hydroxy-4-methylcoumarin,7-hydroxy-4-methyl-3-chlorocoumarin,chlorferon,3-chloro-4-methylumbelliferone,3-chloro-7-hydroxy-4-methyl-2-benzopyrone,2h-1-benzopyran-2-one, 3-chloro-7-hydroxy-4-methyl
IUPAC Name 3-chloro-7-hydroxy-4-methyl-2H-chromen-2-one
InChI Key ODZHLDRQCZXQFQ-UHFFFAOYSA-N
Molecular Formula C10H7ClO3
455

7-(Diethylamino)-4-(hydroxymethyl)coumarin 98.0+%, TCI America™

CAS: 54711-38-5 Molecular Formula: C14H17NO3 Molecular Weight (g/mol): 247.294 MDL Number: MFCD03424352 InChI Key: NMZSXNOCNJMJQT-UHFFFAOYSA-N PubChem CID: 14532761 IUPAC Name: 7-(diethylamino)-4-(hydroxymethyl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)CO

PubChem CID 14532761
CAS 54711-38-5
Molecular Weight (g/mol) 247.294
MDL Number MFCD03424352
SMILES CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)CO
IUPAC Name 7-(diethylamino)-4-(hydroxymethyl)chromen-2-one
InChI Key NMZSXNOCNJMJQT-UHFFFAOYSA-N
Molecular Formula C14H17NO3
456

7-(Ethylamino)-4-methylcoumarin 98.0+%, TCI America™

CAS: 28821-18-3 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00467040 InChI Key: OTNIKUTWXUODJZ-UHFFFAOYSA-N Synonym: Coumarin 445 PubChem CID: 120061 IUPAC Name: 7-(ethylamino)-4-methylchromen-2-one SMILES: CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C

PubChem CID 120061
CAS 28821-18-3
Molecular Weight (g/mol) 203.241
MDL Number MFCD00467040
SMILES CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym Coumarin 445
IUPAC Name 7-(ethylamino)-4-methylchromen-2-one
InChI Key OTNIKUTWXUODJZ-UHFFFAOYSA-N
Molecular Formula C12H13NO2
457

7-Amino-4-methylcoumarin 98.0+%, TCI America™

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
458

7-(Dimethylamino)-4-(trifluoromethyl)coumarin 97.0+%, TCI America™

CAS: 53518-14-2 Molecular Formula: C12H10F3NO2 Molecular Weight (g/mol): 257.21 MDL Number: MFCD00041867 InChI Key: KDTAEYOYAZPLIC-UHFFFAOYSA-N Synonym: coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone PubChem CID: 104522 ChEBI: CHEBI:51775 IUPAC Name: 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one SMILES: CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1

PubChem CID 104522
CAS 53518-14-2
Molecular Weight (g/mol) 257.21
ChEBI CHEBI:51775
MDL Number MFCD00041867
SMILES CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1
Synonym coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone
IUPAC Name 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one
InChI Key KDTAEYOYAZPLIC-UHFFFAOYSA-N
Molecular Formula C12H10F3NO2
459

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

CAS: 28705-46-6 Molecular Formula: C16H19NO4 Molecular Weight (g/mol): 289.331 MDL Number: MFCD00227484 InChI Key: MSOLGAJLRIINNF-UHFFFAOYSA-N Synonym: 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester PubChem CID: 120014 IUPAC Name: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC

PubChem CID 120014
CAS 28705-46-6
Molecular Weight (g/mol) 289.331
MDL Number MFCD00227484
SMILES CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC
Synonym 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester
IUPAC Name ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI Key MSOLGAJLRIINNF-UHFFFAOYSA-N
Molecular Formula C16H19NO4
460

Coumarin 6H 97.0+%, TCI America™

CAS: 58336-35-9 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 MDL Number: MFCD00227485 InChI Key: MZSOXGPKUOAXNY-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin PubChem CID: 94022 SMILES: C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1

PubChem CID 94022
CAS 58336-35-9
Molecular Weight (g/mol) 241.29
MDL Number MFCD00227485
SMILES C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1
Synonym 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin
InChI Key MZSOXGPKUOAXNY-UHFFFAOYSA-N
Molecular Formula C15H15NO2
461

Coumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 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) 190.154
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
462

Ethyl Coumarin-3-carboxylate 98.0+%, TCI America™

CAS: 1846-76-0 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00016964 InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonym: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester PubChem CID: 15800 IUPAC Name: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O

PubChem CID 15800
CAS 1846-76-0
Molecular Weight (g/mol) 218.208
MDL Number MFCD00016964
SMILES CCOC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester
IUPAC Name ethyl 2-oxochromene-3-carboxylate
InChI Key XKHPEMKBJGUYCM-UHFFFAOYSA-N
Molecular Formula C12H10O4
463

3-Chlorocoumarin 98.0+%, TCI America™

CAS: 92-45-5 Molecular Formula: C9H5ClO2 Molecular Weight (g/mol): 180.59 MDL Number: MFCD00024073 InChI Key: CKCOPMSBJBNBCQ-UHFFFAOYSA-N Synonym: 3-chlorocoumarin,coumarin, 3-chloro,2h-1-benzopyran-2-one, 3-chloro,3-chloro-2h-chromen-2-one,chlorocoumarin,3-chloro-2h-1-benzopyran-2-one,acmc-1ciat,2h-1-benzopyran-2-one,3-chloro PubChem CID: 96133 IUPAC Name: 3-chloro-2H-chromen-2-one SMILES: ClC1=CC2=CC=CC=C2OC1=O

PubChem CID 96133
CAS 92-45-5
Molecular Weight (g/mol) 180.59
MDL Number MFCD00024073
SMILES ClC1=CC2=CC=CC=C2OC1=O
Synonym 3-chlorocoumarin,coumarin, 3-chloro,2h-1-benzopyran-2-one, 3-chloro,3-chloro-2h-chromen-2-one,chlorocoumarin,3-chloro-2h-1-benzopyran-2-one,acmc-1ciat,2h-1-benzopyran-2-one,3-chloro
IUPAC Name 3-chloro-2H-chromen-2-one
InChI Key CKCOPMSBJBNBCQ-UHFFFAOYSA-N
Molecular Formula C9H5ClO2
464

Coumarin 525 97.0+%, TCI America™

CAS: 87331-47-3 Molecular Formula: C22H18N2O3 Molecular Weight (g/mol): 358.397 InChI Key: XYFLALJXCJWBPG-UHFFFAOYSA-N Synonym: 10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 1371421 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1

PubChem CID 1371421
CAS 87331-47-3
Molecular Weight (g/mol) 358.397
SMILES C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6O5)CCCN3C1
Synonym 10-(2-Benzoxazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key XYFLALJXCJWBPG-UHFFFAOYSA-N
Molecular Formula C22H18N2O3
465

Coumarin 478 98.0+%, TCI America™

CAS: 41175-45-5 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD00041949 InChI Key: LLSRPENMALNOFW-UHFFFAOYSA-N Synonym: coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci PubChem CID: 100336 SMILES: C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23

PubChem CID 100336
CAS 41175-45-5
Molecular Weight (g/mol) 281.355
MDL Number MFCD00041949
SMILES C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
Synonym coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci
InChI Key LLSRPENMALNOFW-UHFFFAOYSA-N
Molecular Formula C18H19NO2