Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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241 – 255 of 171,713 results

241

Caffeine Citrate, MP Biomedicals™

CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: Citrated caffeine,Caffeine,Citrated,Caffeina citrate PubChem CID: 6241 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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Specifications

PubChem CID	6241
CAS	69-22-7
Molecular Weight (g/mol)	386.32
MDL Number	MFCD00044986
SMILES	OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	Citrated caffeine,Caffeine,Citrated,Caffeina citrate
IUPAC Name	1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid
InChI Key	RCQXSQPPHJPGOF-UHFFFAOYSA-N
Molecular Formula	C14H18N4O9

242

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Bis(cyclopentadienyl)zirconium dichloride, 98+%

CAS: 1291-32-3 Molecular Formula: C₁₀H₁₀Cl₂Zr Molecular Weight (g/mol): 292.32 MDL Number: MFCD00003726 Synonym: Zirconocene dichloride

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Specifications

CAS	1291-32-3
Molecular Weight (g/mol)	292.32
MDL Number	MFCD00003726
Synonym	Zirconocene dichloride
Molecular Formula	C₁₀H₁₀Cl₂Zr

243

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Thermo Scientific Chemicals L(+)-Histidine methyl ester dihydrochloride, 97%

CAS: 7389-87-9 Molecular Formula: C7H11ClN3O2 Molecular Weight (g/mol): 204.63 MDL Number: MFCD00012701 InChI Key: VXXIPPPPKNWFLK-UHFFFAOYNA-N Synonym: l-histidine methyl ester dihydrochloride,h-his-ome.2hcl,methyl l-histidinate dihydrochloride,l-histidine, methyl ester, dihydrochloride,s-methyl 2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,l-+-histidine methyl ester dihydrochloride,methyl 2s-2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,methyl 2s-2-amino-3-3h-imidazol-4-yl propanoate dihydrochloride,histidine methyl ester dihydrochloride,c7h11n3o2.2hcl PubChem CID: 2723645 IUPAC Name: methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride SMILES: [Cl].COC(=O)C(N)CC1=CN=CN1

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Specifications

PubChem CID	2723645
CAS	7389-87-9
Molecular Weight (g/mol)	204.63
MDL Number	MFCD00012701
SMILES	[Cl].COC(=O)C(N)CC1=CN=CN1
Synonym	l-histidine methyl ester dihydrochloride,h-his-ome.2hcl,methyl l-histidinate dihydrochloride,l-histidine, methyl ester, dihydrochloride,s-methyl 2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,l-+-histidine methyl ester dihydrochloride,methyl 2s-2-amino-3-1h-imidazol-4-yl propanoate dihydrochloride,methyl 2s-2-amino-3-3h-imidazol-4-yl propanoate dihydrochloride,histidine methyl ester dihydrochloride,c7h11n3o2.2hcl
IUPAC Name	methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
InChI Key	VXXIPPPPKNWFLK-UHFFFAOYNA-N
Molecular Formula	C7H11ClN3O2

244

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Thermo Scientific Chemicals Doxycycline hyclate, 98%

CAS: 24390-14-5 Molecular Formula: ₀·5 C₂H₆O Molecular Weight (g/mol): 512.94 InChI Key: ISZOFWGVNMFENH-YDLUHMIOSA-N Synonym: doryx,doxycycline hyclate,doxycycline, hydrochloride, hemiethanolate, hemihydrate; PubChem CID: 131676157 IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;dihydrate;hydrochloride SMILES: CCO.CCO.CC1C2C(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.O.Cl

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Specifications

PubChem CID	131676157
CAS	24390-14-5
Molecular Weight (g/mol)	512.94
SMILES	CCO.CCO.CC1C2C(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.O.Cl
Synonym	doryx,doxycycline hyclate,doxycycline, hydrochloride, hemiethanolate, hemihydrate;
IUPAC Name	(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;dihydrate;hydrochloride
InChI Key	ISZOFWGVNMFENH-YDLUHMIOSA-N
Molecular Formula	₀·5 C₂H₆O

245

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Maltotriose, 93%

CAS: 1109-28-0 MDL Number: MFCD00006629 InChI Key: FYGDTMLNYKFZSV-NBCPLHMPSA-N Synonym: maltotriose,d-maltotriose PubChem CID: 134129496 IUPAC Name: (2R,3S,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O

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Specifications

PubChem CID	134129496
CAS	1109-28-0
MDL Number	MFCD00006629
SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
Synonym	maltotriose,d-maltotriose
IUPAC Name	(2R,3S,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key	FYGDTMLNYKFZSV-NBCPLHMPSA-N

246

Pentacarbonyliron, 99.5%

CAS: 13463-40-6 Molecular Formula: C5FeO5 Molecular Weight (g/mol): 195.90 MDL Number: MFCD00011001 InChI Key: FYOFOKCECDGJBF-UHFFFAOYSA-N Synonym: Iron pentacarbonyl; Iron carbonyl IUPAC Name: pentakis(methanidylidyneoxidanium) iron SMILES: [Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

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Specifications

CAS	13463-40-6
Molecular Weight (g/mol)	195.90
MDL Number	MFCD00011001
SMILES	[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
Synonym	Iron pentacarbonyl; Iron carbonyl
IUPAC Name	pentakis(methanidylidyneoxidanium) iron
InChI Key	FYOFOKCECDGJBF-UHFFFAOYSA-N
Molecular Formula	C5FeO5

247

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Lutein, 90%

CAS: 127-40-2 Molecular Formula: C₄₀H₅₆O₂ Molecular Weight (g/mol): 568.87 InChI Key: KBPHJBAIARWVSC-HZNSELMYSA-N Synonym: lutein PubChem CID: 102514741 IUPAC Name: (1S)-4-[(1E,3Z,5E,7Z,9E,11Z,13E,15Z,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C

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Specifications

PubChem CID	102514741
CAS	127-40-2
Molecular Weight (g/mol)	568.87
SMILES	CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
Synonym	lutein
IUPAC Name	(1S)-4-[(1E,3Z,5E,7Z,9E,11Z,13E,15Z,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
InChI Key	KBPHJBAIARWVSC-HZNSELMYSA-N
Molecular Formula	C₄₀H₅₆O₂

248

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Diphenylcyclopropenone, 98%

CAS: 886-38-4 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001311 InChI Key: HCIBTBXNLVOFER-UHFFFAOYSA-N Synonym: diphenylcyclopropenone,diphencyprone,2,3-diphenylcyclopropenone,2,3-diphenylcycloprop-2-enone,cyclopropenone, diphenyl,dpcp,2-cyclopropen-1-one, 2,3-diphenyl,1,2-diphenylcyclopropen-3-one,cyclopropenone, 2,3-diphenyl,unii-i7g14nw5ec PubChem CID: 65057 ChEBI: CHEBI:53074 IUPAC Name: 2,3-diphenylcycloprop-2-en-1-one SMILES: O=C1C(=C1C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	65057
CAS	886-38-4
Molecular Weight (g/mol)	206.24
ChEBI	CHEBI:53074
MDL Number	MFCD00001311
SMILES	O=C1C(=C1C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenylcyclopropenone,diphencyprone,2,3-diphenylcyclopropenone,2,3-diphenylcycloprop-2-enone,cyclopropenone, diphenyl,dpcp,2-cyclopropen-1-one, 2,3-diphenyl,1,2-diphenylcyclopropen-3-one,cyclopropenone, 2,3-diphenyl,unii-i7g14nw5ec
IUPAC Name	2,3-diphenylcycloprop-2-en-1-one
InChI Key	HCIBTBXNLVOFER-UHFFFAOYSA-N
Molecular Formula	C15H10O

249

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Thermo Scientific Chemicals Dasatinib monohydrate

CAS: 863127-77-9 Molecular Formula: C₂₂H₂₆ClN₇O₂S·H₂O Molecular Weight (g/mol): 506.02 InChI Key: XHXFZZNHDVTMLI-UHFFFAOYSA-N PubChem CID: 11540687 ChEBI: CHEBI:70839

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Specifications

PubChem CID	11540687
CAS	863127-77-9
Molecular Weight (g/mol)	506.02
ChEBI	CHEBI:70839
InChI Key	XHXFZZNHDVTMLI-UHFFFAOYSA-N
Molecular Formula	C₂₂H₂₆ClN₇O₂S·H₂O

250

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Thermo Scientific Chemicals Sarcosine, 98%

CAS: 107-97-1 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.09 MDL Number: MFCD00004279 InChI Key: FSYKKLYZXJSNPZ-UHFFFAOYSA-N Synonym: sarcosine,n-methylglycine,sarcosinic acid,methylglycine,glycine, n-methyl,methylaminoacetic acid,n-methylaminoacetic acid,sarcosin,2-methylamino acetic acid,methylamino acetic acid PubChem CID: 1088 ChEBI: CHEBI:15611 IUPAC Name: 2-(methylamino)acetic acid SMILES: CNCC(O)=O

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Specifications

PubChem CID	1088
CAS	107-97-1
Molecular Weight (g/mol)	89.09
ChEBI	CHEBI:15611
MDL Number	MFCD00004279
SMILES	CNCC(O)=O
Synonym	sarcosine,n-methylglycine,sarcosinic acid,methylglycine,glycine, n-methyl,methylaminoacetic acid,n-methylaminoacetic acid,sarcosin,2-methylamino acetic acid,methylamino acetic acid
IUPAC Name	2-(methylamino)acetic acid
InChI Key	FSYKKLYZXJSNPZ-UHFFFAOYSA-N
Molecular Formula	C3H7NO2

251

N-Acetyl-D-Glucosamine, Cell Culture Reagent, 100%, MP Biomedicals™

CAS: 7512-17-6 Molecular Formula: C8H15NO6 Molecular Weight (g/mol): 221.21 MDL Number: MFCD00061615 InChI Key: OVRNDRQMDRJTHS-WZWLWIOANA-N Synonym: 2-Acetamido-2-deoxy-D-glucose IUPAC Name: N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

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Specifications

CAS	7512-17-6
Molecular Weight (g/mol)	221.21
MDL Number	MFCD00061615
SMILES	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
Synonym	2-Acetamido-2-deoxy-D-glucose
IUPAC Name	N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI Key	OVRNDRQMDRJTHS-WZWLWIOANA-N
Molecular Formula	C8H15NO6

252

L-Cystine disodium salt, 98+%

CAS: 64704-23-0 Molecular Formula: C6H10N2Na2O4S2 Molecular Weight (g/mol): 284.26 MDL Number: MFCD00037206 InChI Key: PLVPMKWGXOOSKL-UHFFFAOYNA-L Synonym: disodium 2-amino-3-2r-2-amino-2-carboxylatoethyl disulfanyl propanoate PubChem CID: 71607258 IUPAC Name: disodium;2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate SMILES: [Na+].[Na+].NC(CSSCC(N)C([O-])=O)C([O-])=O

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Specifications

PubChem CID	71607258
CAS	64704-23-0
Molecular Weight (g/mol)	284.26
MDL Number	MFCD00037206
SMILES	[Na+].[Na+].NC(CSSCC(N)C([O-])=O)C([O-])=O
Synonym	disodium 2-amino-3-2r-2-amino-2-carboxylatoethyl disulfanyl propanoate
IUPAC Name	disodium;2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate
InChI Key	PLVPMKWGXOOSKL-UHFFFAOYNA-L
Molecular Formula	C6H10N2Na2O4S2

253

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meso-Tetrakis(4-methoxyphenyl)porphine, 95%

CAS: 22112-78-3 Molecular Formula: C48H38N4O4 Molecular Weight (g/mol): 734.856 MDL Number: MFCD09909566 InChI Key: SKXWDGDNWBYACJ-UHFFFAOYSA-N Synonym: 5,10,15,20-tetrakis 4-methoxyphenyl-21h,23h-porphine,5,10,15,20-tetrakis 4-methoxyphenyl porphyrin,tetra p-methoxyphenyl porphyrin,21h,23h-porphine, 5,10,15,20-tetrakis 4-methoxyphenyl,5,10,15,20-tetrakis 4-methoxyphenyl-21,22-dihydroporphyrin,2,7,12,17-tetrakis 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2.1.1 3 ,?.1?, 1 1 .1 1 3 , 1 ? tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undecaene,4-methoxy-1-7,12,17-tris 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2 .1.1<3,6>.1<8,11>.1<13,16> tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undec aen-2-yl benzene,acmc-209fs6,tetrakis p-methoxyphenyl porphyrin,meso-tetra 4-methoxyphenyl porphine PubChem CID: 140886 IUPAC Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin SMILES: COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

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Specifications

PubChem CID	140886
CAS	22112-78-3
Molecular Weight (g/mol)	734.856
MDL Number	MFCD09909566
SMILES	COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3
Synonym	5,10,15,20-tetrakis 4-methoxyphenyl-21h,23h-porphine,5,10,15,20-tetrakis 4-methoxyphenyl porphyrin,tetra p-methoxyphenyl porphyrin,21h,23h-porphine, 5,10,15,20-tetrakis 4-methoxyphenyl,5,10,15,20-tetrakis 4-methoxyphenyl-21,22-dihydroporphyrin,2,7,12,17-tetrakis 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2.1.1 3 ,?.1?, 1 1 .1 1 3 , 1 ? tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undecaene,4-methoxy-1-7,12,17-tris 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2 .1.1<3,6>.1<8,11>.1<13,16> tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undec aen-2-yl benzene,acmc-209fs6,tetrakis p-methoxyphenyl porphyrin,meso-tetra 4-methoxyphenyl porphine
IUPAC Name	5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin
InChI Key	SKXWDGDNWBYACJ-UHFFFAOYSA-N
Molecular Formula	C48H38N4O4

254

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4-Hydroxy-2,2,6,6-tetramethyl-piperidinooxy, 98%, free radical

CAS: 2226-96-2 Molecular Formula: C₉H₁₈NO₂ Molecular Weight (g/mol): 172.25 MDL Number: MFCD00006478 Synonym: 4-Hydroxy-TEMPO

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Specifications

CAS	2226-96-2
Molecular Weight (g/mol)	172.25
MDL Number	MFCD00006478
Synonym	4-Hydroxy-TEMPO
Molecular Formula	C₉H₁₈NO₂

255

Betanin (Red Beet extract diluted with Dextrin), TCI America™

CAS: 7659-95-2 Molecular Formula: C24H26N2O13 Molecular Weight (g/mol): 550.473 MDL Number: MFCD00060076 InChI Key: DHHFDKNIEVKVKS-UHFFFAOYSA-N PubChem CID: 54600918 IUPAC Name: 1-[(2Z)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate SMILES: C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O

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Specifications

PubChem CID	54600918
CAS	7659-95-2
Molecular Weight (g/mol)	550.473
MDL Number	MFCD00060076
SMILES	C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O
IUPAC Name	1-[(2Z)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
InChI Key	DHHFDKNIEVKVKS-UHFFFAOYSA-N
Molecular Formula	C24H26N2O13

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