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

CAS: 64-72-2 Molecular Formula: C22H24Cl2N2O8 Molecular Weight (g/mol): 515.34 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: Chlorotetracycline hydrochloride, Aureomycin 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

CAS: 10236-47-2 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.54 MDL Number: MFCD00148888,MFCD00149445,MFCD01461988 InChI Key: DFPMSGMNTNDNHN-ZPHOTFPESA-N PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

CAS: 8042-47-5 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride, em6md4aehe, ccris 2518, unii-em6md4aehe, delfinidol chloride, ephdine, delphinidol, delphinidine, delphinidin, delphinidin chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: bilcolic, beta-methylumbelliferone, 4-methyl-7-hydroxycoumarin, mendiaxon, cholestil, 7-hydroxy-4-methyl-2h-chromen-2-one, imecromone, 7-hydroxy-4-methylcoumarin, hymecromone, 4-methylumbelliferone PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12

CAS: 250249-75-3 Molecular Formula: C27H36O19 Molecular Weight (g/mol): 664.566 MDL Number: MFCD00149490 InChI Key: NLLBWFFSGHKUSY-JPRRWYCFSA-N Synonym: rutin trihydrate, analytical standard, rutin trihydrate hplc, rutin hydrate jan, rutoside trihydrate ep, 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-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate, unii-rf4n03853g, rutin hydrate, rutin trihydrate, +-rutin trihydrate, rutoside trihydrate PubChem CID: 16218542 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;trihydrate 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.O.O.O

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

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genestein, 5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one, bonistein, 5,7,4'-trihydroxyisoflavone, sophoricol, genisterin, 4',5,7-trihydroxyisoflavone, genisteol, prunetol, genistein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

CAS: 7782-26-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00063140 InChI Key: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonym: r-2-phenyl-proprionic acid, r-2-phenyl-propionic acid, r-2-phenylpropionic acid, r---2-phenylpropionicacid, r---hydratropic acid, --hydratropic acid, r-hydratropic acid, 2r-2-phenylpropanoic acid, r-2-phenylpropanoic acid, r---2-phenylpropionic acid PubChem CID: 446626 ChEBI: CHEBI:43035 IUPAC Name: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

CAS: 16323-43-6 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00002698 InChI Key: AAFXQFIGKBLKMC-KQQUZDAGSA-N Synonym: 3,3'-benzene-1,4-diylbisprop-2-enoic acid, 2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid, 2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid, 3,3'-p-phenylene diacrylic acid, 3,3'-1,4-phenylene bis-2-propenoic acid, unii-0f7e4o8q8y, p-benzenediacrylic acid, p-phenylenediacrylic acid, 1,4-phenylenediacrylic acid, 1,4-benzenediacrylic acid PubChem CID: 759280 IUPAC Name: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O

CAS: 635-51-8 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: butanedioic acid, 2-phenyl, phenylsuccinate, .alpha.-phenylsuccinic acid, 2-phenylsuccinate, succinic acid, phenyl, butanedioic acid, phenyl, phenyl succinic acid, 2-phenylsuccinic acid, dl-phenylsuccinic acid, phenylsuccinic acid PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

CAS: 950603-27-7 Molecular Formula: C17H12F5NO5S Molecular Weight (g/mol): 437.34 MDL Number: MFCD09879986 InChI Key: FDXYCKHOIXBDOA-UHFFFAOYSA-N Synonym: 2-4-morpholinylsulfonyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester, 2,3,4,5,6-pentakis fluoranyl phenyl 2-morpholin-4-ylsulfonylbenzoate, 2,3,4,5,6-pentafluorophenyl 2-4-morpholinylsulfonyl benzoate, 2,3,4,5,6-pentafluorophenyl 2-morpholinosulfonylbenzoate, pentafluorophenyl 2-morpholin-4-ylsulphonyl benzoate, 2,3,4,5,6-pentafluorophenyl 2-morpholine-4-sulfonyl benzoate, pentafluorophenyl 2-morpholine-4-sulfonyl benzoate, pentafluorophenyl 2-morpholinosulfonyl benzoate PubChem CID: 24229773 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-morpholin-4-ylsulfonylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=CC=C2S(=O)(=O)N2CCOCC2)C(F)=C1F

CAS: 20595-30-6 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.151 MDL Number: MFCD00004383 InChI Key: RTSIUKMGSDOSTI-SNAWJCMRSA-N Synonym: e-3-3-fluorophenyl prop-2-enoic acid, trans-m-fluorocinnamic, 3-3-fluoro-phenyl-acrylic acid, trans 3-fluorocinnamic acid, m-fluorocinnamic acid, e-3-3-fluorophenyl acrylic acid, 2e-3-3-fluorophenyl prop-2-enoic acid, trans-3-fluorocinnamic acid, 3-3-fluorophenyl acrylic acid, 3-fluorocinnamic acid PubChem CID: 1551219 IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC(=C1)F)C=CC(=O)O

CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: 1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one, 4,4'-anisoin, benzoin,4'-dimethoxy, p,p'-dimethoxybenzoin, benzoin, 4,4'-dimethoxy, ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl, p-anisoin, 4,4'-dimethoxybenzoin, 2-hydroxy-1,2-bis 4-methoxyphenyl ethanone, anisoin 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

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: 2e-3-phenylprop-2-enal, 3-phenylpropenal, cinnamylaldehyde, zimtaldehyde, 3-phenylacrylaldehyde, cinnamal, e-cinnamaldehyde, cinnamic aldehyde, trans-cinnamaldehyde, cinnamaldehyde PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

CAS: 916420-42-3 Molecular Formula: C10H8F4O2 Molecular Weight (g/mol): 236.166 MDL Number: MFCD09025359 InChI Key: ITZBWMABBUYCQB-UHFFFAOYSA-N Synonym: 3-4-fluoro-3-trifluoromethyl-phenyl-propionic acid, 3-4-fluoro-3-trifluoromethyl phenyl propanoic acid, 3-4-fluoro-3-trifluoromethyl phenyl propionic acid PubChem CID: 46737490 IUPAC Name: 3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)C(F)(F)F)F

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: s---2-hydroxy-3-phenylpropionic acid, s-3-phenyllactic acid, 2s-2-hydroxy-3-phenylpropanoic acid, d-3-phenyllactic acid, l-3-phenyllactic acid, s---3-phenyllactic acid, l--3-phenyllactic acid, s-2-hydroxy-3-phenylpropanoic acid, s-2-hydroxy-3-phenylpropionic acid, l---3-phenyllactic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: mca-oh, 7-methoxy-2-oxochromen-4-yl acetic acid, 7-methoxycoumarin-4-yl acetic acid, 7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid, 2-7-methoxy-2-oxochromen-4-yl acetic acid, 2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo, 7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo-2h-chromen-4-yl acetic acid, 2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid, 7-methoxycoumarin-4-acetic acid 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

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: unii-x954zll2rd, 4-hydroxy-chromen-2-one, 4-hydroxy-1-benzopyran-2-one, 4-hydroxy-2h-1-benzopyran-2-one, 2h-1-benzopyran-2-one, 4-hydroxy, coumarin, 4-hydroxy, benzotetronic acid, 4-hydroxy-2h-chromen-2-one, 4-coumarinol, 4-hydroxycoumarin PubChem CID: 54682930 ChEBI: CHEBI:40070 IUPAC Name: 4-hydroxychromen-2-one SMILES: OC1=CC(=O)C2=CC=CC=C2O1

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: g 1 van, g 1 the rodenticide van, unii-v85uov8788, 2-oxo-2h-1-benzopyran-3-carboxylic acid, 2h-1-benzopyran-3-carboxylic acid, 2-oxo, g 1 rodenticide, 2-oxobenzopyran-3-carboxylic acid, 3-carboxycoumarin, 2-oxo-2h-chromene-3-carboxylic acid, coumarin-3-carboxylic acid PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

CAS: 530-59-6 Molecular Formula: C₁₁H₁₂O₅ Molecular Weight (g/mol): 224.21 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: unii-p0i60993ec, 2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid, synapoic acid, 4-hydroxy-3,5-dimethoxycinnamic acid, trans-sinapic acid, sinapate, sinapinate, 3,5-dimethoxy-4-hydroxycinnamic acid, sinapinic acid, sinapic acid PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O

CAS: 2596-47-6 Molecular Formula: C12H12O5 Molecular Weight (g/mol): 236.223 MDL Number: MFCD00014378 InChI Key: IHKNVZISLLDMOR-GQCTYLIASA-N Synonym: 2e-3-4-acetyloxy-3-methoxyphenyl prop-2-enoic acid, 2-propenoic acid, 3-4-acetyloxy-3-methoxyphenyl, cinnamic acid, 4-hydroxy-3-methoxy-, acetate, acetylated ferulic acid, cinnamic acid, 4-acetoxy-3-methoxy, 3-4-acetoxy-3-methoxyphenyl acrylic acid, 3-methoxy-4-acetoxycinnamic acid, 4-acetoxy-3-methoxycinnamic acid, acetylferulic acid PubChem CID: 5354677 ChEBI: CHEBI:86582 IUPAC Name: (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OC

CAS: 1533748 MDL Number: MFCD00004386

CAS: 119-72-2 Molecular Formula: C14H12N2O8S2 Molecular Weight (g/mol): 400.376 MDL Number: MFCD00035915 InChI Key: GHBWBMDGBCKAQU-OWOJBTEDSA-N Synonym: 5-amino-2-e-2-4-nitro-2-sulfophenyl ethenyl benzenesulfonic acid, 5-amino-2-e-2-4-nitro-2-sulfo-phenyl vinyl benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulphophenyl vinyl benzenesulphonic acid, 2,2'-stilbenedisulfonic acid, 4-amino-4'-nitro, benzenesulfonic acid, 5-amino-2-2-4-nitro-2-sulfophenyl ethenyl, kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova czech, kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova czech, 4-amino-4'-nitrostilbene-2,2'-disulfonic acid, 4-amino-4'-nitro-2,2'-stilbenedisulfonic acid, 4-nitro-4'-aminostilbene-2,2'-disulfonic acid PubChem CID: 5473847 IUPAC Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

CAS: 17904-83-5 Molecular Formula: C57H44EuN2O6 Molecular Weight (g/mol): 1004.951 MDL Number: MFCD01321202 InChI Key: DYKOLWWJTALFFU-RWBKAWJDSA-N Synonym: 2e-3-bis 1e-3-oxo-1,3-diphenylprop-1-en-1-yl oxy europio oxy-1,3-diphenylprop-2-en-1-one; phen, europium iii tris 1,3-diphenyl-1,3-propanedionato mono 1,10-phenanthroline, tris dibenzoylmethane mono 1,10-phenanthroline europium lll, tris dibenzoylmethane phenanthroline europium iii, tris dibenzoylmethane mono phenanthroline europium iii, eu dbm 3 phen PubChem CID: 14205791 IUPAC Name: europium;(E)-3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline SMILES: C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Eu]

CAS: 10543-42-7 Molecular Formula: C9H5ClO4S Molecular Weight (g/mol): 244.65 MDL Number: MFCD01941320 InChI Key: HQIPMBGUDSOVEA-UHFFFAOYSA-N Synonym: timtec-bb sbb002796, c6scl, pubchem5506, 6-chlorosulfonyl chromen-2-one, 2-oxo-2h-1-benzopyran-6-sulfonyl chloride, 2-oxo-2h-chromene-6-sulphonyl chloride, coumarin-6-sulphonyl chloride, 6-cs-cl, coumarin-6-sulfonyl chloride, 2-oxo-2h-chromene-6-sulfonyl chloride PubChem CID: 2735833 IUPAC Name: 2-oxochromene-6-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1

CAS: 160434-49-1 Molecular Formula: C9H5BrFO2 Molecular Weight (g/mol): 244.04 MDL Number: MFCD00143095 InChI Key: ZNIGVADAKXOMQH-DUXPYHPUSA-M Synonym: attercop-chm at116391, timtec-bb sbb003187, rarechem bk hw 0193, 2e-3-3-bromo-4-fluorophenyl acrylic acid, pubchem3228, 3-3-bromo-4-fluorophenyl acrylic acid, 3-3-bromo-4-fluoro-phenyl-acrylic acid, e-3-3-bromo-4-fluorophenyl acrylic acid, 2e-3-3-bromo-4-fluorophenyl prop-2-enoic acid, 3-bromo-4-fluorocinnamic acid PubChem CID: 688312 IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid SMILES: [O-]C(=O)\C=C\C1=CC=C(F)C(Br)=C1

CAS: 104-54-1 Molecular Formula: C₉H₁₀O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: styryl alcohol, trans-cinnamyl alcohol, 3-phenylallyl alcohol, e-3-phenylprop-2-en-1-ol, styryl carbinol, zimtalcohol, 3-phenylprop-2-en-1-ol, 3-phenyl-2-propen-1-ol, cinnamic alcohol, cinnamyl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO