Phenylpropanoids and polyketides

TissuePrep™ Embedding Media (Certified), Fisher Chemical

CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.451 MDL Number: MFCD00212755 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: gnf-pf-4594, propafenona, propafenona inn-spanish, propafenone, propafenone inn, propafenone inn:ban, propafenone-hcl, propafenonum, propafenonum inn-latin, rythmol 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

Paraffin Oil Light, MilliporeSigma™

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, ccris 2518, delfinidol chloride, delphinidin, delphinidin chloride, delphinidine, delphinidol, em6md4aehe, ephdine, unii-em6md4aehe PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

trans-Cinnamic acid, 99+%, Alfa Aesar™

CAS: 140-10-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00004369 InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N Synonym: 2e-3-phenylprop-2-enoic acid, 3-phenylacrylic acid, 3-phenylprop-2-enoic acid, 3-phenylpropenoic acid, cinnamic acid, e-cinnamic acid, trans-3-phenylacrylic acid, trans-cinnamic acid, zimtsaeure PubChem CID: 444539 ChEBI: CHEBI:35697 IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=CC(=O)O

Alfa Aesar™ 3,4,5-Trimethoxycinnamic acid, predominantly trans, 99%

CAS: 90-50-6 Molecular Formula: C12H14O5 Molecular Weight (g/mol): 238.239 MDL Number: MFCD00004388 InChI Key: YTFVRYKNXDADBI-SNAWJCMRSA-N Synonym: 2e-3-3,4,5-trimethoxyphenyl acrylic acid, 3,4,5-trimethoxy cinnamic acid, 3,4,5-trimethoxycinnamic acid, 3,4,5-trimethoxyphenylacrylic acid, 3-3,4,5-trimethoxyphenyl acrylic acid, 3-3,4,5-trimethoxyphenyl-2-propenoic acid, cinnamic acid, 3,4,5-trimethoxy, e-3-3,4,5-trimethoxyphenyl acrylic acid, o-methylsinapic acid, sinapic acid methyl ether PubChem CID: 735755 IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)O

Paraffin Oil Heavy, MilliporeSigma™

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, ccris 2518, delfinidol chloride, delphinidin, delphinidin chloride, delphinidine, delphinidol, em6md4aehe, ephdine, unii-em6md4aehe PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

Paraffin, liquid, pure, ACROS Organics™

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, ccris 2518, delfinidol chloride, delphinidin, delphinidin chloride, delphinidine, delphinidol, em6md4aehe, ephdine, unii-em6md4aehe PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

Coumarin 2, Laser Grade 99%, ACROS Organics™

CAS: 26078-25-1 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.268 MDL Number: MFCD00006860 InChI Key: QZXAEJGHNXJTSE-UHFFFAOYSA-N Synonym: 4, 6-Dimethyl-7-ethylaminocoumarin PubChem CID: 96929 IUPAC Name: 7-(ethylamino)-4,6-dimethylchromen-2-one SMILES: CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C

Rapamycin, Fisher BioReagents

CAS: 53123-88-9 Molecular Formula: C51H79NO13 Molecular Weight (g/mol): 914.187 InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N PubChem CID: 5284616 ChEBI: CHEBI:9168 SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

Ibuprofen, USP grade, MP Biomedicals™

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYSA-N Synonym: 2-4-isobutylphenyl propanoic acid, advil, anflagen, brufen, dolgit, ibuprofen, liptan, motrin, nuprin, nurofen 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

Paraffin wax, pure, granular, ACROS Organics™

CAS: 8002-74-2 Molecular Formula: CnH2n+2 Molecular Weight (g/mol): 341.451 MDL Number: MFCD00132833 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: gnf-pf-4594, propafenona, propafenona inn-spanish, propafenone, propafenone inn, propafenone inn:ban, propafenone-hcl, propafenonum, propafenonum inn-latin, rythmol 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

Alfa Aesar™ Rapamycin, 99+%

CAS: 53123-88-9 Molecular Formula: C51H79NO13 Molecular Weight (g/mol): 914.187 MDL Number: MFCD00867594 InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N Synonym: Sirolimus; AY-22989 PubChem CID: 5284616 ChEBI: CHEBI:9168 SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

Rifabutin, 98%, ACROS Organics™

CAS: 72559-06-9 Molecular Formula: C46H62N4O11 Molecular Weight (g/mol): 847 InChI Key: ATEBXHFBFRCZMA-WBGWULMVSA-N Synonym: alfacid, ansamycin, ansatipin, ansatipine, antibiotic lm 427, mycobutin, rifabutin, rifabutina, rifabutine, rifabutinum PubChem CID: 57448257 SMILES: CC1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)OC(C6=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C

Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 98+%, ACROS Organics™

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.38 InChI Key: VFLDPWHFBUODDF-FCXRPNKRSA-N Synonym: curcuma, curcumin, curcumin i, diferuloylmethane, gelbwurz, halad, kacha haldi, natural yellow 3, turmeric, turmeric yellow PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

1,3-Diphenyl-1,3-propanedione 98.0+%, TCI America™

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: 1,3-diphenyl-1,3-propanedione, 1,3-propanedione, 1,3-diphenyl, 2-benzoylacetophenone, dibenzoyl-methane, dibenzoylmethane, karenzu dk2, omega-benzoylacetophenone, phenyl phenacyl ketone, rhodiastab 83, unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

Rutin, 97+%, ACROS Organics™

CAS: 153-18-4 Molecular Formula: C27H30O16·3H2O Molecular Weight (g/mol): 664.58 MDL Number: MFCD00006830 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: 3-rutinosyl quercetin, bioflavonoid, birutan, eldrin, myrticolorin, phytomelin, quercetin 3-rutinoside, rutin, rutoside, venoruton PubChem CID: 5280805 ChEBI: CHEBI:28527 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

4-Dimethylaminocinnamaldehyde, 98%, ACROS Organics™

CAS: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 3-4-dimethylamino phenyl acrylaldehyde, 4-dimethylamino cinnamaldehyde, 4-dimethylaminocinnamaldehyde, 4-dimethylcinnamaldehyde, cinnamaldehyde, p-dimethylamino, dmaca reagent, p-dimethylamino cinnamaldehyde, p-dimethylaminocinnamaldehyde, p-dimethylaminocinnamic aldehyde, unii-9rsi7wz9f0 PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

Alfa Aesar™ alpha-Cyano-4-hydroxycinnamic acid, Ultrapure MALDI Matrix

CAS: 28166-41-8 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00004204 InChI Key: AFVLVVWMAFSXCK-YVMONPNESA-N Synonym: 2-cyano-3-4-hydroxyphe-nyl acrylic acid, 2-cyano-4-hydroxycinnamate, 2z-2-cyano-3-4-hydroxyphenyl prop-2-enoic acid, alpha-cyano-4-hydroxycinnamate PubChem CID: 9794103 IUPAC Name: (Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)O)O

Disodium 4,4′-Diisothiocyanato-2,2′-stilbenedisulfonate Hydrate 90.0+%, TCI America™

CAS: 67483-13-0 Molecular Formula: C16H8N2Na2O6S4 Molecular Weight (g/mol): 498.468 MDL Number: MFCD00009638 InChI Key: GEPAYBXVXXBSKP-SEPHDYHBSA-L Synonym: 4 4'-diisothiocyanato-2 2'-stilbenedisu&, 4,4'-diisothiocyanato-2,2'-stilbenedisulfonic acid disodium salt, 4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid, disodium salt, dids, disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, e, disodium 4,4'-diisothiocyanatostilbene-2,2'-disulfonate, disodium 5-isothiocyanato-2-e-2-4-isothiocyanato-2-sulfonatophenyl ethenyl benzenesulfonate, spectrum1505164, unii-1vfrq7416a PubChem CID: 5702690 IUPAC Name: disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]

trans-Cinnamaldehyde, 99%, ACROS Organics™

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: 2e-3-phenylprop-2-enal, 3-phenylacrylaldehyde, 3-phenylpropenal, cinnamal, cinnamaldehyde, cinnamic aldehyde, cinnamylaldehyde, e-cinnamaldehyde, trans-cinnamaldehyde, zimtaldehyde PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (E)-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=CC=O

Doxorubicin Hydrochloride, Fisher BioReagents

CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.983 InChI Key: MWWSFMDVAYGXBV-BXPPNZEESA-N Synonym: adriacin, adriamycin, adriamycin hydrochloride, adriamycin pfs, adriblastin, adriblastina, doxorubicin hcl, doxorubicin hydrochloride, rubex PubChem CID: 129626538 IUPAC Name: (7R,9R)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl

trans-Cinnamaldehyde, ≥98%, Alfa Aesar™

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: 2e-3-phenylprop-2-enal, 3-phenylacrylaldehyde, 3-phenylpropenal, cinnamal, cinnamaldehyde, cinnamic aldehyde, cinnamylaldehyde, e-cinnamaldehyde, trans-cinnamaldehyde, zimtaldehyde PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (E)-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=CC=O

Alfa Aesar™ Tetracycline

CAS: 60-54-8 Molecular Formula: C22H24N2O8 Molecular Weight (g/mol): 444.44 MDL Number: MFCD00151232 InChI Key: NWXMGUDVXFXRIG-WESIUVDSSA-N PubChem CID: 54675776 IUPAC Name: (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

4-Hydroxy-3-methoxycinnamic acid, 99%, ACROS Organics™

CAS: 1135-24-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: 2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl, 3-4-hydroxy-3-methoxyphenyl acrylic acid, 4-hydroxy-3-methoxycinnamic acid, coniferic acid, e-ferulic acid, ferulate, ferulic acid, ferulic acid, trans, trans-4-hydroxy-3-methoxycinnamic acid, trans-ferulic acid PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

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

CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.322 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride, 3,4:9,10-perylenetetracarboxylic anhydride, anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone, perylene-3,4,9,10-tetracarboxylic dianhydride, perylenetetracarboxylic acid dianhydride, perylenetetracarboxylic anhydride, perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone, pigment red 224, ptcda PubChem CID: 67191 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O

Alfa Aesar™ 7-Methoxycoumarin, 98+%

CAS: 531-59-9 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00006876 InChI Key: LIIALPBMIOVAHH-UHFFFAOYSA-N Synonym: 2h-1-benzopyran-2-one, 7-methoxy, 7-methoxy-2h-1-benzopyran-2-one, 7-methoxy-2h-chromen-2-one, 7-methoxycoumarin, ayapanin, coumarin, 7-methoxy, herniarin, herniarine, methoxycourmarin, 7, methylumbelliferone PubChem CID: 10748 ChEBI: CHEBI:5679 IUPAC Name: 7-methoxychromen-2-one SMILES: COC1=CC2=C(C=C1)C=CC(=O)O2

Diphenyl Phthalate 98.0+%, TCI America™

CAS: 84-62-8 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.328 MDL Number: MFCD00003038 InChI Key: DWNAQMUDCDVSLT-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 1,2-diphenyl ester, 1,2-benzenedicarboxylic acid, diphenyl ester, caswell no. 399b, diphenyl phthalate, diphenylphthalate, epa pesticide chemical code 017001, phenyl phthalate, phthalic acid diphenyl ester, phthalic acid, diphenyl ester, unii-bu20109xhv PubChem CID: 6778 ChEBI: CHEBI:60819 IUPAC Name: diphenyl benzene-1,2-dicarboxylate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3

Alfa Aesar™ 7-Amino-4-methylcoumarin, 98%

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 2h-1-benzopyran-2-one, 7-amino-4-methyl, 4-methyl-7-aminocoumarin, 7-amino-4-methyl-2h-chromen-2-one, 7-amino-4-methyl-chromen-2-one, 7-amino-4-methylcoumarin, ccris 4961, coumarin 120, coumarin, 7-amino-4-methyl, ocy3jct44x, unii-ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N

Coumarin, 99+%, ACROS Organics™

CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: 2H-1-Benzopyran-2-one PubChem CID: 323 ChEBI: CHEBI:28794 IUPAC Name: chromen-2-one SMILES: C1=CC=C2C(=C1)C=CC(=O)O2

Rapamycin, 99.0%, MP Biomedicals™

CAS: 53123-88-9 Molecular Formula: C51H79NO13 Molecular Weight (g/mol): 914.187 InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N Synonym: A422989, NSC226080 PubChem CID: 5284616 ChEBI: CHEBI:9168 SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

Ochratoxin A, 99+%, ACROS Organics™

CAS: 303-47-9 Molecular Formula: C20H18ClNO6 Molecular Weight (g/mol): 403.82 MDL Number: MFCD00078079 InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N Synonym: --n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine, 3r14s-ochratoxin a, antibiotic 9663, ccris 2382, l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r, n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine, ochratoxin a, ochratoxin a-bsa conjugate from aspergillus ochraceus, phenylalanine-ochratoxin a, unii-1779sx6luy 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

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