Phenylpropanoids and polyketides

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

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-]

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

1,3-Diphenylacetone, 99%, ACROS Organics™

CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.27 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenyl-2-propanone, 1,3-diphenyl-propan-2-one, 1,3-diphenylacetone, 1,3-diphenylpropanone, 2-propanone, 1,3-diphenyl, alpha,alpha'-diphenylacetone, benzyl ketone, dibenzyl ketone, fema no. 2397, unii-9y07g5udkq PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2

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, 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-]

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-]

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

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™ 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

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

2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™

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

Quercetin dihydrate, 97%, Alfa Aesar™

CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.268 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate, 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate, 3,3',4',5,7-pentahydroxyflavone dihydrate, ccris 3304, dsstox_cid_1219, flavone, 3,3',4',5,7-pentahydroxy-, dihydrate, quercetin dihydrate, quercetin dihydrate sophoretin, quercetin, dihydrate, quercetine dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O

Alfa Aesar™ Oxytetracycline, 98+%

CAS: 79-57-2 Molecular Formula: C22H24N2O9 Molecular Weight (g/mol): 460.439 MDL Number: MFCD00003700 InChI Key: OWFJMIVZYSDULZ-PXOLEDIWSA-N PubChem CID: 54675779 IUPAC Name: (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide SMILES: CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O

Myricetin 95%, ACROS Organics™

CAS: 529-44-2 Molecular Formula: C15H10O8 Molecular Weight (g/mol): 318.237 MDL Number: MFCD00006827 InChI Key: IKMDFBPHZNJCSN-UHFFFAOYSA-N Synonym: 3,3',4',5,5',7-hexahydroxyflavone, 3,5,7,3',4',5'-hexahydroxyflavone, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-chromen-4-one, cannabiscetin, ccris 5838, myricetin, myricetol, myricitin, unii-76xc01ftoj PubChem CID: 5281672 ChEBI: CHEBI:18152 IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

Curcumin (Synthetic) 97.0+%, TCI America™

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.385 MDL Number: MFCD00008365 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

2,2-Dimethoxy-2-phenylacetophenone 98.0+%, TCI America™

CAS: 24650-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD00008475 InChI Key: KWVGIHKZDCUPEU-UHFFFAOYSA-N Synonym: 2,2-dimethoxy-2-phenylacetophenone, benzil dimethyl ketal, benzil dimethylketal, esacure kb 1, ethanone, 2,2-dimethoxy-1,2-diphenyl, irgacure 621, irgacure 651, kayacure bdmk, lucirin bdk, photomer 51 PubChem CID: 90571 IUPAC Name: 2,2-dimethoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC

trans-Ferulic Acid 98.0+%, TCI America™

CAS: 537-98-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 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

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

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

Cetraxate Hydrochloride 98.0+%, TCI America™

CAS: 27724-96-5 Molecular Formula: C17H24ClNO4 Molecular Weight (g/mol): 341.832 MDL Number: MFCD01722166 InChI Key: USROQQUKEBHOFF-UHFFFAOYSA-N Synonym: 3-[4-[[trans-4-(Aminomethyl)cyclohexyl]carbonyloxy]phenyl]propanoic Acid Hydrochloride PubChem CID: 34001 IUPAC Name: 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]oxyphenyl]propanoic acid;hydrochloride SMILES: C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)O.Cl

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

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

Umbelliferone 98.0+%, TCI America™

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.144 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxy-2h-chromen-2-one, 7-hydroxycoumarin, 7-hydroxycoumarine, 7-oxycoumarin, hydrangin, hydrangine, skimmetin, skimmetine, umbelliferon, umbelliferone PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC Name: 7-hydroxychromen-2-one SMILES: C1=CC(=CC2=C1C=CC(=O)O2)O

Alfa Aesar™ 7-Hydroxycoumarin, 98%

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.144 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxy-2h-chromen-2-one, 7-hydroxycoumarin, 7-hydroxycoumarine, 7-oxycoumarin, hydrangin, hydrangine, skimmetin, skimmetine, umbelliferon, umbelliferone PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC Name: 7-hydroxychromen-2-one SMILES: C1=CC(=CC2=C1C=CC(=O)O2)O

Alfa Aesar™ 3-(3,4-Dihydroxyphenyl)propionic acid, 98+%

CAS: 1078-61-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002776 InChI Key: DZAUWHJDUNRCTF-UHFFFAOYSA-N Synonym: 3,4-dihydroxybenzenepropionic acid, 3,4-dihydroxyhydrocinnamate, 3,4-dihydroxyhydrocinnamic acid, 3-3,4-dihydroxyphenyl propanoic acid, 3-3,4-dihydroxyphenyl propionic acid, benzenepropanoic acid, 3,4-dihydroxy, dihydrocaffeic acid, hydrocaffeic acid, hydrocaffeic acid polymer, hykop PubChem CID: 348154 ChEBI: CHEBI:48400 IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O

7,8-Dihydroxyflavone Hydrate 98.0+%, TCI America™

CAS: 38183-03-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00006836 InChI Key: COCYGNDCWFKTMF-UHFFFAOYSA-N Synonym: 4h-1-benzopyran-4-one, 7,8-dihydroxy-2-phenyl, 7,8-dhf, 7,8-dihydroxy-2-phenyl-4-benzopyrone, 7,8-dihydroxy-2-phenyl-4h-1-benzopyran-4-one, 7,8-dihydroxy-2-phenyl-4h-chromen-4-one, 7,8-dihydroxy-2-phenyl-chromen-4-one, 7,8-dihydroxy-flavone, 7,8-dihydroxyflavone, 7,8-dihydroxyflavone hydrate, chembl75267 PubChem CID: 1880 IUPAC Name: 7,8-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O

Curcumin, 95% (total curcuminoid content), from Turmeric rhizome, Alfa Aesar™

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.385 MDL Number: MFCD00008365 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

Rapamycin 98.0+%, TCI America™

CAS: 53123-88-9 Molecular Formula: C51H79NO13 Molecular Weight (g/mol): 914.187 MDL Number: MFCD00867594 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

Ononin 97.0+%, TCI America™

CAS: 486-62-4 Molecular Formula: C22H22O9 Molecular Weight (g/mol): 430.409 MDL Number: MFCD00017464 InChI Key: MGJLSBDCWOSMHL-MIUGBVLSSA-N Synonym: Formononetin 7-O-beta-D-glucopyranoside PubChem CID: 442813 ChEBI: CHEBI:7775 IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O

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