CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: krystar 300, fructose, d, sugar, fruit, d-levulose, keto-d-fructose, arabino-hexulose, furucton, 3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one, d--fructose, d---fructose PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanyllon, acetovanilone, 4-acetyl-2-methoxyphenol, apocynine, acetoguaiacon, acetoguaiacone, 1-4-hydroxy-3-methoxyphenyl ethanone, 4'-hydroxy-3'-methoxyacetophenone, apocynin, acetovanillone PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: 148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: krystar 300, fructose, d, sugar, fruit, d-levulose, keto-d-fructose, arabino-hexulose, furucton, 3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one, d--fructose, d---fructose PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

CAS: 959-36-4 Molecular Formula: C₁₄H₁₂N₂O₂ Molecular Weight (g/mol): 240.26 InChI Key: SPEXYYIULCBQJR-UHFFFAOYSA-N Synonym: 6-6-oxo-1-cyclohexa-2,4-dienylidene methylhydrazo methylidene-1-cyclohexa-2,4-dienone, 1,2-bis e-salicylidene hydrazine, benzaldehyde, 2-hydroxy-, 2-2-hydroxyphenyl methylene hydrazone, 2,2'-1,2-hydrazinediylidenedi methylylidene diphenol, 2-1e-e-2-2-hydroxyphenyl methylidene hydrazin-1-ylidene methyl phenol, 2-hydroxybenzaldehyde azine, benzaldehyde, 2-hydroxy-, 2-hydroxyphenyl methylene hydrazone, salicylaldazine, salicylalazine, salicylaldehyde azine PubChem CID: 6849893 IUPAC Name: 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one SMILES: C1=CC(=CNNC=C2C=CC=CC2=O)C(=O)C=C1

CAS: 1522-22-1 Molecular Formula: C₅H₂F₆O₂ Molecular Weight (g/mol): 208.06 InChI Key: QAMFBRUWYYMMGJ-UHFFFAOYSA-N Synonym: 2,4-dioxo-1,1,1,5,5,5-hexafluoropentane, 1,1,1-trifluoro-3-trifluoroacetyl acetone, 1,3-bis trifluoromethyl propane-1,3-dione, 1,1,1,5,5,5-hexafluoro-2,4-pentadione, hfac, hexafluoro-2,4-pentanedione, 2,4-pentanedione, 1,1,1,5,5,5-hexafluoro, 1,1,1,5,5,5-hexafluoro-2,4-pentanedione, 1,1,1,5,5,5-hexafluoroacetylacetone, hexafluoroacetylacetone PubChem CID: 73706 IUPAC Name: 1,1,1,5,5,5-hexafluoropentane-2,4-dione SMILES: C(C(=O)C(F)(F)F)C(=O)C(F)(F)F

CAS: 3997-89-5 Molecular Formula: C5H8O Molecular Weight (g/mol): 88.142 MDL Number: MFCD00190415 InChI Key: BGTOWKSIORTVQH-KHORGVISSA-N Synonym: 2,2,5,5-2 h? cyclopentan-1-one, cyclopentanone-2,2,5,5-d4, 98 atom % d, 2,2,5,5-∼2∼h_4_ cyclopentanone, cyclopentanone d4, cyclopentanone-2,2,5,5-d4 PubChem CID: 16213326 IUPAC Name: 2,2,5,5-tetradeuteriocyclopentan-1-one SMILES: C1CCC(=O)C1

CAS: 615-94-1 Molecular Formula: C6H4O4 Molecular Weight (g/mol): 140.09 MDL Number: MFCD00001598 InChI Key: QFSYADJLNBHAKO-UHFFFAOYSA-N Synonym: 2,5-dhbqop, 2,5-dihydroxy benzoquinone, 2,5-dihydroxy-p-quinone, 4lbp, 2,5-dihydroxybenzoquinone, p-benzoquinone, 2,5-dihydroxy, 2,5-cyclohexadiene-1,4-dione, 2,5-dihydroxy, 2,5-dihydroxy-p-benzoquinone, 2,5-dihydroxy-1,4-benzoquinone PubChem CID: 69213 IUPAC Name: 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione SMILES: OC1=CC(=O)C(O)=CC1=O

CAS: 4272-74-6 Molecular Formula: C14H22Cl2N2O3S Molecular Weight (g/mol): 369.30 MDL Number: MFCD00065395 InChI Key: YFCUZWYIPBUQBD-ZOWNYOTGSA-N Synonym: p-toluenesulfonamide, n-5-amino-1-chloroacetyl pentyl-, hydrochloride, l, l-n-5-amino-1-chloroacetyl pentyl-p-toluenesulfonamide hydrochloride, tosyl-l-lysyl-chloromethane hydrochloride, c14h21cln2o3s hydrochloride, na-p-tosyl-l-lysine chloromethyl ketone hydrochloride, n-alpha-p-tosyl-l-lysine chloromethyl ketone hydrochloride, 3s-1-chloro-3-tosylamido-7-amino-2-heptanone hydrochloride, s-n-7-amino-1-chloro-2-oxoheptan-3-yl-4-methylbenzenesulfonamide hydrochloride, tlck, tlck hydrochloride PubChem CID: 73093 IUPAC Name: N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide;hydrochloride SMILES: [H+].[Cl-].CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl

CAS: 363-03-1 Molecular Formula: C12H8O2 Molecular Weight (g/mol): 184.19 MDL Number: MFCD00001599 InChI Key: RLQZIECDMISZHS-UHFFFAOYSA-N Synonym: p-benzoquinone, phenyl, phenyl-1,4-benzoquinone, 2-phenyl-p-benzoquinone, 2,5-cyclohexadiene-1,4-dione, 2-phenyl, p-benzoquinone, 2-phenyl, 2-phenylbenzoquinone, 2-phenyl-1,4-benzoquinone, phenylbenzoquinone, phenylquinone, phenyl-p-benzoquinone PubChem CID: 9688 IUPAC Name: 2-phenylcyclohexa-2,5-diene-1,4-dione SMILES: O=C1C=CC(=O)C(=C1)C1=CC=CC=C1

CAS: 504-02-9 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00001585 InChI Key: HJSLFCCWAKVHIW-UHFFFAOYSA-N Synonym: 1,3-cyclohexane dione, 1,3-benzenediol, dihydro, unii-6uk3d2bxjt, 1,3-cyclohexanone, resorcinol, dihydro, hydroresorcinol, 1,3 cyclohexanedione, 1,3-cyclohexandione, dihydroresorcinol, 1,3-cyclohexanedione PubChem CID: 10434 ChEBI: CHEBI:17766 IUPAC Name: cyclohexane-1,3-dione SMILES: C1CC(=O)CC(=O)C1

CAS: 5000-65-7 Molecular Formula: C₉H₉BrO₂ Molecular Weight (g/mol): 229.07 MDL Number: MFCD00000199 InChI Key: IOOHBIFQNQQUFI-UHFFFAOYSA-N Synonym: 3-methoxyphenacylbromide, ccris 7998, bromomethyl 3-methoxyphenyl ketone, 3-methoxyphenacyl bromide, 2-bromo-1-3-methoxyphenyl ethan-1-one, 3-bromoacetyl anisole, 3'-methoxyphenacyl bromide, m-methoxyphenacyl bromide, 2-bromo-3'-methoxyacetophenone, 2-bromo-1-3-methoxyphenyl ethanone PubChem CID: 101294 IUPAC Name: 2-bromo-1-(3-methoxyphenyl)ethanone SMILES: COC1=CC=CC(=C1)C(=O)CBr

CAS: 88-15-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005442 InChI Key: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonym: 2-thienyl methyl ketone, ketone, methyl 2-thienyl, 2-acetyl thiophene, ethanone, 1-2-thienyl, 2-acetothiophene, 2-acetothienone, methyl 2-thienyl ketone, 1-thiophen-2-yl-ethanone, 1-2-thienyl ethanone, 2-acetylthiophene PubChem CID: 6920 IUPAC Name: 1-thiophen-2-ylethanone SMILES: CC(=O)C1=CC=CS1

CAS: 106-51-4 Molecular Formula: C₆H₄O₂ Molecular Weight (g/mol): 108.1 MDL Number: MFCD00001591 InChI Key: AZQWKYJCGOJGHM-UHFFFAOYSA-N Synonym: 1,4-benzoquine, para-quinone, cyclohexadienedione, 2,5-cyclohexadiene-1,4-dione, chinone, p-quinone, 1,4-benzoquinone, quinone, benzoquinone, p-benzoquinone PubChem CID: 4650 ChEBI: CHEBI:16509 IUPAC Name: cyclohexa-2,5-diene-1,4-dione SMILES: C1=CC(=O)C=CC1=O

CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: pubchem11042, 4-chloroacetonacetic acid nethyl ester, acetoacetic acid, 4-chloro-, methyl ester, methyl-4-chloroacetoacetate, methyl gamma-chloroacetoacetate, methyl 4-chloro-3-oxobutyrate, 4-chloroacetoacetic acid methyl ester, butanoic acid, 4-chloro-3-oxo-, methyl ester, methyl 4-chloro-3-oxo-butanoate, methyl 4-chloroacetoacetate PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl

CAS: 1191-95-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00001332 InChI Key: SHQSVMDWKBRBGB-UHFFFAOYSA-N Synonym: pubchem9021, cyclobutanone, 1-oxocyclobutane, 3-cyclobutanone, cylobutanone, cylcobutanone, cyclobutanon, cyclobutanone, 98+%, cyclobutyloxy, unii-6pf2sh405u PubChem CID: 14496 IUPAC Name: cyclobutanone SMILES: O=C1CCC1

CAS: 4565-29-1 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 InChI Key: ISGDPVVLVWQENT-UHFFFAOYSA-N Synonym: 2-thiophenecarboxaldehyde,5-acetyl, 5-acetyl-thiophene-2-carbaldehyde, 2-acetyl-5-formylthiophene, 5-acetyl-2-thiophenecarbaldehyde PubChem CID: 2794713 IUPAC Name: 5-acetylthiophene-2-carbaldehyde SMILES: CC(=O)C1=CC=C(S1)C=O

CAS: 64-86-8 Molecular Formula: C22H25NO6 Molecular Weight (g/mol): 399.44 MDL Number: MFCD00078484,MFCD00078484 InChI Key: IAKHMKGGTNLKSZ-INIZCTEOSA-N Synonym: 7alphah-colchicine, colchineos, colcin, colsaloid, colchisol, colchicinum, condylon, colchicin, colchicina, colchicine PubChem CID: 45038708 SMILES: COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1

CAS: 501-30-4 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00006580 InChI Key: BEJNERDRQOWKJM-UHFFFAOYSA-N Synonym: unii-6k23f1tt52, 2-hydroxymethyl-5-hydroxy-4h-pyran-4-one, 2-hydroxymethyl-5-hydroxy-gamma-pyrone, acido kojico, 5-hydroxy-2-hydroxymethyl pyran-4-one, 4h-pyran-4-one, 5-hydroxy-2-hydroxymethyl, 5-hydroxy-2-hydroxymethyl-4-pyrone, 5-hydroxy-2-hydroxymethyl-4h-pyran-4-one, kojic acid PubChem CID: 3840 ChEBI: CHEBI:43572 IUPAC Name: 5-hydroxy-2-(hydroxymethyl)pyran-4-one SMILES: OCC1=CC(=O)C(O)=CO1

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 403-42-9 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD00000354 InChI Key: ZDPAWHACYDRYIW-UHFFFAOYSA-N Synonym: 1-acetyl-4-fluorobenzene, unii-tvq090602v, 4 fluoroacetophenone, acetophenone, 4'-fluoro, ethanone, 1-4-fluorophenyl, 1-4-fluorophenyl ethan-1-one, p-fluoroacetophenone, 1-4-fluorophenyl ethanone, 4-fluoroacetophenone, 4'-fluoroacetophenone PubChem CID: 9828 IUPAC Name: 1-(4-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C=C1

CAS: 23302-83-2 Molecular Formula: C14H13NO Molecular Weight (g/mol): 211.26 MDL Number: MFCD00010099 InChI Key: DBOHWMPKJCJANT-UHFFFAOYSA-N Synonym: 4-2-1-methyl-4-pyridylidene ethylidene cyclohexa-2,5-dien-1-one, 4-2-1-methylpyridin-4-ylidene ethylidene cyclohexa-2,5-die, 1-methyl-4-e-4-oxylatostyryl pyridinium, 1-methyl-4-4-oxylatostyryl pyridinium, brooker/'s merocyanine, 2,5-cyclohexadien-1-one,4-2-1-methyl-4 1h-pyridinylidene ethylidene, 4-2-1-methylpyridin-4-ylidene ethylidene cyclohexa-2,5-dien-1-one, 4-2-1-methylpyridin-4 1h-ylidene ethylidene cyclohexa-2,5-dien-1-one, brooker's merocyanine PubChem CID: 258436 IUPAC Name: 4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one SMILES: CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: 148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: krystar 300, fructose, d, sugar, fruit, d-levulose, keto-d-fructose, arabino-hexulose, furucton, 3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one, d--fructose, d---fructose PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

CAS: 50544-72-4 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD01314121 InChI Key: OGVKPSHYVRAUCB-UHFFFAOYSA-N Synonym: 4h-1-benzopyran-4-one,2,3-dihydro-7-hydroxy-2,2,8-trimethyl, 2,3-dihydro-7-hydroxy-2,2,8-trimethyl-4h-benzopyran-4-one, 2,3-dihydro-7-hydroxy-2,2,8-trimethyl-4h-chromen-4-one, 7-hydroxy-2,2,8-trimethyl-4-chromanone, 7-hydroxy-2,2,8-trimethyl4-chromanone, maybridge1_006374, 7-hydroxy-2,2,8-trimethyl-2,3-dihydro-4h-1-benzopyran-4-one, 7-hydroxy-2,2,8-trimethyl-3h-1-benzopyran-4-one, 7-hydroxy-2,2,8-trimethylchroman-4-one, 7-hydroxy-2,2,8-trimethyl-2,3-dihydro-4h-chromen-4-one PubChem CID: 2727974 IUPAC Name: 7-hydroxy-2,2,8-trimethyl-3H-chromen-4-one SMILES: CC1=C(C=CC2=C1OC(CC2=O)(C)C)O

CAS: 20099-89-2 Molecular Formula: C₉H₆BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00052931 InChI Key: LJANCPRIUMHGJE-UHFFFAOYSA-N Synonym: 4-2-bromoacetyl benzenecarbonitrile, 4-2-bromoethanoyl benzonitrile, 4-2-bromo-acetyl-benzonitrile, p-cyanophenacyl bromide, benzonitrile, 4-bromoacetyl, 2-bromo-4'-cyanoacetophenone, 4-bromoacetyl benzonitrile, 4-cyanophenacyl bromide, 4-2-bromoacetyl benzonitrile PubChem CID: 98654 IUPAC Name: 4-(2-bromoacetyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C(=O)CBr

CAS: 536-43-6 Molecular Formula: C18H28ClNO2 Molecular Weight (g/mol): 325.88 MDL Number: MFCD00035386 InChI Key: KNZADIMHVBBPOA-UHFFFAOYSA-N Synonym: 1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride, unii-zec193879q, dyclocaine hydrochloride, 4'-butoxy-3-piperidinopropiophenone hydrochloride, tanaclone, dyclothane, dyclone, dyclonine hcl, dyclonine hydrochloride PubChem CID: 68304 ChEBI: CHEBI:4725 IUPAC Name: hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride SMILES: [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1

CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: zlchem 344, ethanone, 1-2-fluoro-4-methoxyphenyl, 2-fluoro-4-methoxy-acetophenone, 2'-fluor-4'-methoxyacetophenone, 1-acetyl-2-fluoro-4-methoxybenzene, 4-acetyl-3-fluoroanisole, 1-2-fluoro-4-methoxyphenyl ethan-1-one, 1-2-fluoro-4-methoxyphenyl ethanone, 2-fluoro-4-methoxyacetophenone, 2'-fluoro-4'-methoxyacetophenone PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1