Phenylpropanoids and polyketides
4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%
CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.394 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
Benzoin, 98%
CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethanone SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
2,2-Dimethoxy-2-phenylacetophenone, 99%
CAS: 24650-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.30 MDL Number: MFCD00008475 InChI Key: KWVGIHKZDCUPEU-UHFFFAOYSA-N Synonym: 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621 PubChem CID: 90571 IUPAC Name: 2,2-dimethoxy-1,2-diphenylethanone SMILES: COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Anisoin, 97%
CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
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
Ochratoxin A, 99+%
CAS: 303-47-9 Molecular Formula: C20H18ClNO6 Molecular Weight (g/mol): 403.82 MDL Number: MFCD00078079 InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N Synonym: ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 PubChem CID: 442530 ChEBI: CHEBI:7719 IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl
Dicumarol
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
7-Methoxycoumarin-4-acetic acid
CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh PubChem CID: 342221 ChEBI: CHEBI:51666 IUPAC Name: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
7-Hydroxycoumarinyl-4-acetic acid, 97%
CAS: 6950-82-9 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00037563 InChI Key: BNHPMQBVNXMPDU-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid PubChem CID: 5338490 IUPAC Name: 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O
4-Hydroxycoumarin, 98%
CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd PubChem CID: 54682930 ChEBI: CHEBI:40070 SMILES: OC1=CC(=O)C2=CC=CC=C2O1
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
MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,
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
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
4-Methylumbelliferone, 97%
CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
5,7-Dimethoxycoumarin, 98%
CAS: 487-06-9 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.197 MDL Number: MFCD00006870 InChI Key: NXJCRELRQHZBQA-UHFFFAOYSA-N Synonym: 5,7-dimethoxycoumarin,citropten,limettin,citroptene,citraptene,limetin,5,7-dimethoxy-2h-chromen-2-one,5,7-dimethoxy-2-benzopyrone,2h-1-benzopyran-2-one, 5,7-dimethoxy,coumarin, 5,7-dimethoxy PubChem CID: 2775 IUPAC Name: 5,7-dimethoxychromen-2-one SMILES: COC1=CC(=C2C=CC(=O)OC2=C1)OC