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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.
Flavonoids (863)
Cinnamic acids and derivatives (840)
Coumarins and derivatives (667)
Linear 1 3-diarylpropanoids (417)
Phenylpropanoic acids (332)
Depsides and depsidones (285)
Isoflavonoids (201)
Cinnamaldehydes (120)
Stilbenes (105)
Macrolide lactams (80)
Macrolides and analogues (71)
Anthracyclines (69)
Tetracyclines (62)
Cinnamyl alcohols (61)
Isocoumarins and derivatives (27)
Macrolactams (22)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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136 – 150 of 3,527 results
136

Flavanone, 98+%

CAS: 487-26-3 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00006841 InChI Key: ZONYXWQDUYMKFB-UHFFFAOYNA-N Synonym: flavanone,2-phenylchroman-4-one,2,3-dihydroflavone,2-phenyl-4-chromanone,4-flavanone,2,3-dihydro-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-2-phenyl,2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-2-phenyl-4h-benzopyran-4-one,2-phenyl-3,4-dihydro-2h-1-benzopyran-4-one PubChem CID: 10251 ChEBI: CHEBI:5070 IUPAC Name: 2-phenyl-2,3-dihydrochromen-4-one SMILES: O=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1

PubChem CID 10251
CAS 487-26-3
Molecular Weight (g/mol) 224.26
ChEBI CHEBI:5070
MDL Number MFCD00006841
SMILES O=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1
Synonym flavanone,2-phenylchroman-4-one,2,3-dihydroflavone,2-phenyl-4-chromanone,4-flavanone,2,3-dihydro-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-2-phenyl,2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-2-phenyl-4h-benzopyran-4-one,2-phenyl-3,4-dihydro-2h-1-benzopyran-4-one
IUPAC Name 2-phenyl-2,3-dihydrochromen-4-one
InChI Key ZONYXWQDUYMKFB-UHFFFAOYNA-N
Molecular Formula C15H12O2
137

Kaempferol, 98+%, Thermo Scientific Chemicals

CAS: 520-18-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 MDL Number: MFCD00016938 InChI Key: IYRMWMYZSQPJKC-UHFFFAOYSA-N Synonym: kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol PubChem CID: 5280863 ChEBI: CHEBI:28499 SMILES: OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

PubChem CID 5280863
CAS 520-18-3
Molecular Weight (g/mol) 286.24
ChEBI CHEBI:28499
MDL Number MFCD00016938
SMILES OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Synonym kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol
InChI Key IYRMWMYZSQPJKC-UHFFFAOYSA-N
Molecular Formula C15H10O6
138

Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
139

Dicumarol, 99%

CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12

PubChem CID 54676038
CAS 66-76-2
Molecular Weight (g/mol) 336.30
ChEBI CHEBI:4513
MDL Number MFCD00006857
SMILES OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
Synonym dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl
IUPAC Name 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
InChI Key DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Molecular Formula C19H12O6
140

Daidzein, 98%

CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00016954 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

PubChem CID 5281708
CAS 486-66-8
Molecular Weight (g/mol) 254.24
ChEBI CHEBI:28197
MDL Number MFCD00016954
SMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Synonym daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Molecular Formula C15H10O4
141

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

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
142

trans-2-Hydroxycinnamic acid, 98+%

CAS: 614-60-8 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004379 InChI Key: PMOWTIHVNWZYFI-AATRIKPKSA-N Synonym: 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid PubChem CID: 637540 ChEBI: CHEBI:18125 IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1O

PubChem CID 637540
CAS 614-60-8
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:18125
MDL Number MFCD00004379
SMILES OC(=O)\C=C\C1=CC=CC=C1O
Synonym 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid
IUPAC Name (E)-3-(2-hydroxyphenyl)prop-2-enoic acid
InChI Key PMOWTIHVNWZYFI-AATRIKPKSA-N
Molecular Formula C9H8O3
143

2'-Amino-3'-methoxyflavone, 99%

CAS: 167869-21-8 Molecular Formula: C16H13NO3 Molecular Weight (g/mol): 267.28 MDL Number: MFCD00671789 InChI Key: QFWCYNPOPKQOKV-UHFFFAOYSA-N Synonym: 2-2-amino-3-methoxyphenyl-4h-chromen-4-one,2-2-amino-3-methoxyphenyl-4h-1-benzopyran-4-one,2-2-amino-3-methoxyphenyl chromen-4-one,2'-amino-3'-methoxyflavone,unii-sje1io5e3i,sje1io5e3i,chembl35482,2-2-amino-3-methoxyphenyl-chromen-4-one,4h-1-benzopyran-4-one, 2-2-amino-3-methoxyphenyl,2′-amino-3′-methoxyflavone PubChem CID: 4713 ChEBI: CHEBI:77954 IUPAC Name: 2-(2-amino-3-methoxyphenyl)chromen-4-one SMILES: COC1=CC=CC(=C1N)C1=CC(=O)C2=CC=CC=C2O1

PubChem CID 4713
CAS 167869-21-8
Molecular Weight (g/mol) 267.28
ChEBI CHEBI:77954
MDL Number MFCD00671789
SMILES COC1=CC=CC(=C1N)C1=CC(=O)C2=CC=CC=C2O1
Synonym 2-2-amino-3-methoxyphenyl-4h-chromen-4-one,2-2-amino-3-methoxyphenyl-4h-1-benzopyran-4-one,2-2-amino-3-methoxyphenyl chromen-4-one,2'-amino-3'-methoxyflavone,unii-sje1io5e3i,sje1io5e3i,chembl35482,2-2-amino-3-methoxyphenyl-chromen-4-one,4h-1-benzopyran-4-one, 2-2-amino-3-methoxyphenyl,2′-amino-3′-methoxyflavone
IUPAC Name 2-(2-amino-3-methoxyphenyl)chromen-4-one
InChI Key QFWCYNPOPKQOKV-UHFFFAOYSA-N
Molecular Formula C16H13NO3
144

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

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
145

4-Hydroxy-3-methoxycinnamic acid, Mixture of isomers, ≥99.0% (HPLC), MilliporeSigma™ Supelco™

4-Hydroxy-3-methoxycinnamic acid is a ubiquitous plant constituent primarily occurring in seeds and leaves. It arises from the metabolism of phenylalanine and tyrosine.

146

4-Hydroxy-6-methylcoumarin, 98+%

CAS: 13252-83-0 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00085738 InChI Key: CSVFZDYJGBVNEX-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 PubChem CID: 54686349 IUPAC Name: 4-hydroxy-6-methylchromen-2-one SMILES: CC1=CC=C2OC(O)=CC(=O)C2=C1

PubChem CID 54686349
CAS 13252-83-0
Molecular Weight (g/mol) 176.17
MDL Number MFCD00085738
SMILES CC1=CC=C2OC(O)=CC(=O)C2=C1
Synonym 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4
IUPAC Name 4-hydroxy-6-methylchromen-2-one
InChI Key CSVFZDYJGBVNEX-UHFFFAOYSA-N
Molecular Formula C10H8O3
147

Chlortetracycline hydrochloride, specified according to the requirements of Ph.Eur.

CAS: 64-72-2 Molecular Formula: C22H23ClN2O8·HCl Molecular Weight (g/mol): 515.33 MDL Number: MFCD00082440 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride PubChem CID: 66577600 IUPAC Name: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl

PubChem CID 66577600
CAS 64-72-2
Molecular Weight (g/mol) 515.33
MDL Number MFCD00082440
SMILES CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl
Synonym chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride
IUPAC Name (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI Key QYAPHLRPFNSDNH-CIVPRPTRSA-N
Molecular Formula C22H23ClN2O8·HCl
148

5,6,7-Trihydroxyflavone, 97%

CAS: 491-67-8 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017459 InChI Key: FXNFHKRTJBSTCS-UHFFFAOYSA-N Synonym: baicalein,5,6,7-trihydroxyflavone,noroxylin,5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one,biacalein,baicelein,chembl8260,4h-1-benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl,5,7-trihydroxyflavone,5,6,7-trihydroxy-2-phenyl-chromen-4-one PubChem CID: 5281605 ChEBI: CHEBI:2979 IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one SMILES: OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1

PubChem CID 5281605
CAS 491-67-8
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:2979
MDL Number MFCD00017459
SMILES OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
Synonym baicalein,5,6,7-trihydroxyflavone,noroxylin,5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one,biacalein,baicelein,chembl8260,4h-1-benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl,5,7-trihydroxyflavone,5,6,7-trihydroxy-2-phenyl-chromen-4-one
IUPAC Name 5,6,7-trihydroxy-2-phenylchromen-4-one
InChI Key FXNFHKRTJBSTCS-UHFFFAOYSA-N
Molecular Formula C15H10O5
149

4-(Trifluoromethyl)hydrocinnamic acid, 95%

CAS: 53473-36-2 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.17 MDL Number: MFCD00674032 InChI Key: OEIUMLSCWINLBB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid PubChem CID: 3588736 IUPAC Name: 3-[4-(trifluoromethyl)phenyl]propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)C(F)(F)F

PubChem CID 3588736
CAS 53473-36-2
Molecular Weight (g/mol) 218.17
MDL Number MFCD00674032
SMILES C1=CC(=CC=C1CCC(=O)O)C(F)(F)F
Synonym 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid
IUPAC Name 3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI Key OEIUMLSCWINLBB-UHFFFAOYSA-N
Molecular Formula C10H9F3O2
150

Scopoletin, 95%

CAS: 92-61-5 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006872 InChI Key: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC Name: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

PubChem CID 5280460
CAS 92-61-5
Molecular Weight (g/mol) 192.17
ChEBI CHEBI:17488
MDL Number MFCD00006872
SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Synonym scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin
IUPAC Name 7-hydroxy-6-methoxychromen-2-one
InChI Key RODXRVNMMDRFIK-UHFFFAOYSA-N
Molecular Formula C10H8O4