Exact Mass: 461.1172456
Exact Mass Matches: 461.1172456
Found 169 metabolites which its exact mass value is equals to given mass value 461.1172456,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Azlocillin
C20H23N5O6S (461.13689780000004)
Azlocillin is only found in individuals that have used or taken this drug. It is a semisynthetic ampicillin-derived acylureido penicillin.By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, azlocillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that azlocillin interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
SM-17466
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
gammaGluCys(IAN)Gly
C20H23N5O6S (461.13689780000004)
A glutathione conjugate that is the S-cyano(indol-3-yl)methyl derivative of glutathione.
4-(2-Nitroethyl)phenyl primeveroside
4-(2-Nitroethyl)phenyl primeveroside is found in fruits. 4-(2-Nitroethyl)phenyl primeveroside is a constituent of Annona squamosa (sugar apple)
Cyanidin 3-O-(6'-acetyl-arabinoside)
C22H21O11+ (461.10838160000003)
Cyanidin 3-O-(6-acetyl-arabinoside) is a polyphenol compound found in foods of plant origin (PMID: 20428313)
KBT 1585 hydrochloride
C21H23N3O7S (461.12566480000004)
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
C22H21Cl2N3O4 (461.09090460000004)
Prulifloxacin
C21H20FN3O6S (461.10567920000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
2-[(2-Fluorophenyl)sulfanylmethyl]-5-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]oxolane-3,4-diol
C21H24FN5O4S (461.15329560000004)
gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide
2-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]propanoic acid
C24H28ClNO6 (461.16050580000007)
4-(2-Nitroethyl)phenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
2-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]propanoic acid
C24H28ClNO6 (461.16050580000007)
4-(2-Nitroethyl)phenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside_major
4-(2-Nitroethyl)phenyl 6-O-?-D-xylopyranosyl-?-D-glucopyranoside
Cys Asp Pro Gln
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Cyanidin 3-O-(6-acetyl-arabinoside)
C22H21O11 (461.10838160000003)
4-(2-Nitroethyl)phenyl primeveroside
2-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}propanoic acid
C24H28ClNO6 (461.16050580000007)
(6-acetyloxy-5-nitro-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) acetate
C24H15NO9 (461.07467800000006)
lenampicillin
C21H23N3O7S (461.12566480000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
7-Chloro-N-{(3-chlorophenyl)[4-(1-pyrrolidinylmethyl)phenyl]methy l}-4-quinolinamine
Vonoprazan Fumarate
C21H20FN3O6S (461.10567920000005)
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide,chloride
C22H28ClN5O2S (461.16521380000006)
p-Nitrophenyl phosphate di(tris) salt
C14H28N3O12P (461.14105380000007)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-fluorophenyl)-7-methyl- (9CI)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-6-methyl- (9CI)
3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carbonitrile
Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate
C30H23NO4 (461.16269980000004)
SPA-S 510
C24H19N3O5S (461.1045364000001)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
N-(3-CHLORO-4-FLUOROPHENYL)-7-(3-MORPHOLINOPROPOXY)-6-NITROQUINAZOLIN-4-AMINE
C21H21ClFN5O4 (461.12660280000006)
1H-Benzimidazole,1-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl]-5,6-dimethyl-(9CI)
C22H27N3O4S2 (461.14429020000006)
Prulifloxacin
C21H20FN3O6S (461.10567920000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
N-(Diphenylphosphinyl-α-(p-tosyl)benzyl amine
C26H24NO3PS (461.12144440000003)
9-(4-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate
C21H19NO9S (461.07804840000006)
3-Hexyl-1,2-dimethyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]azanide
C13H21F6N3O4S2 (461.08776180000007)
3,6-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one
C24H15NO9 (461.07467800000006)
MK-5108
C22H21ClFN3O3S (461.0976118000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
5-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2:5,3-terpyridine-3-carboxamide
C24H20ClN5O3 (461.1254600000001)
(2r)-2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}propene-1-Sulfonamide
C18H24ClN3O5S2 (461.08458440000004)
4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
C21H15ClF3N5O2 (461.08663160000003)
5-O-(L-Alpha-Aspartylsulfamoyl)adenosine
Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme. Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme.
2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate
C22H21Cl2N3O4 (461.09090460000004)
Pivcefalexin
C22H27N3O6S (461.1620482000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
[3-(2-Chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
C25H20ClN3O2S (461.09646900000007)
(1R)-2-[(Cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-)
Isoscoparin-7-olate
C22H21O11- (461.10838160000003)
The 7-oxoanion of isoscoparin.
alpha-Ketoglutaryl-diaminobutyryl-citryl-ethanolamine
Diaminobutyryl-citryl-ethanolamino-alpha-ketoglutarate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2,4-diamino-4-oxobutanoate
C14H20N7O9P (461.10600800000003)
N-[2-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1-oxoethyl]-2-(1-naphthalenyloxy)acetohydrazide
C25H23N3O4S (461.14091980000006)
3-[[4-(2,6-Difluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]aniline
Cefamandole(1-)
C18H17N6O5S2- (461.07018120000004)
A cephalosporin carboxylate anion having (R)-mandelamido and N-methylthiotetrazole side-groups.
3-L-asparaginyl-AMP
C14H20N7O9P (461.10600800000003)
An L-asparaginyl derivative that is the ester obtained by formal condensation of the carboxy group of L-asparagine with the 3-hydroxy group of AMP.
1-[4-Chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)urea
C21H20ClN3O5S (461.0812140000001)
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
C25H23N3O4S (461.14091980000006)
N-[(4-fluorophenyl)methyl]-2-[3-oxo-6-(1-piperidinylsulfonyl)-1,4-benzoxazin-4-yl]acetamide
C22H24FN3O5S (461.14206260000003)
N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
2-[(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
N-(2,5-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
C25H23N3O4S (461.14091980000006)
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide
C24H19N3O5S (461.1045364000001)
3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
2-[4-(2-Thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
C25H17ClFN3OS (461.07648340000003)
1-(4-Chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
C23H16ClN5O2S (461.07131860000004)
Methyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate
2-O-acetylcrinamabine Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
2-methylthio-N(6)-dimethylallyladenine 5-monophosphate
C16H24N5O7PS (461.11340040000005)
(1S,9R,10R,11R)-10-(hydroxymethyl)-N-(2-methoxyethyl)-12-(2-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C22H27N3O6S (461.1620482000001)
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
(1R,9S,10S,11S)-10-(hydroxymethyl)-N-(2-methoxyethyl)-12-(2-methylphenyl)sulfonyl-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C22H27N3O6S (461.1620482000001)
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
C22H27N3O6S (461.1620482000001)
5-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine
C21H23N3O9 (461.14342280000005)
N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide
A non-proteinogenic dipeptide formed from L-gamma-glutamic acid and hercynyl-L-cysteine sulfoxide residues. It is an intermediate in the synthesis of ergothioneine, a compound found in certain fungi and mycobacteria.
(2S,5S,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-1-oxo-2-[[oxo-(2-oxo-1-imidazolidinyl)methyl]amino]-2-phenylethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C20H23N5O6S (461.13689780000004)
4-methoxyphenyl 3-O-(beta-D-glucopyranosyluronate)-beta-D-galactopyranoside
(2S,3S,4S,5R)-6-[3-acetamido-2-hydroxy-5-(4-methylbenzoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
C20H19N3O6S2 (461.07152340000005)
Azlocillin
C20H23N5O6S (461.13689780000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A semisynthetic penicillin antibiotic used in treating infections caused by Pseudomonas aeruginosa, Escherichia coli, and Haemophilus influenzae. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
luteolin 7-O-beta-D-glucosiduronate
A carbohydrate acid derivative anion that is the conjugate base of luteolin 7-O-beta-D-glucosiduronic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Cyanidin 3-O-(6-acetyl-arabinoside)
C22H21O11+ (461.10838160000003)
B-Raf IN 2
C20H17F2N5O4S (461.0969266000001)
B-Raf IN 2 is a potent and selective BRAF inhibitor extracted from patent WO2021116055A1, compound Ia. B-Raf IN 2 can be used for the research of cancer[1].
FAUC 365
FAUC 365 is a highly dopamine D3 receptor-selective antagonist with Ki values of 0.5 nM, 340, 2600, and 3600 nM at D3, D4.4, D2short, and D2Long receptors, respectively. FAUC 365 can be used for the research of schizophrenia, and Parkinson's disease[1][2].
(2s,5r,6r)-6-{[(2r)-1-hydroxy-2-{[hydroxy(2-hydroxy-4,5-dihydroimidazol-1-yl)methylidene]amino}-2-phenylethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C20H23N5O6S (461.13689780000004)
(2s,3r,4s,5s,6r)-2-[4-(2-nitroethyl)phenoxy]-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
bis(4-hydroxy-3-(hydroxyimino)cyclohexa-1,5-diene-1-carbaldehyde); 6-(hydroxyimino)-4-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
C21H23N3O9 (461.14342280000005)
1-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)ethyl]-7,8-dihydroxychromeno[3,4-b]pyrrol-4-one
C25H19NO8 (461.11106140000004)
6'-o-α-l-arabinofuranosylthalictoside
{"Ingredient_id": "HBIN012630","Ingredient_name": "6'-o-\u03b1-l-arabinofuranosylthalictoside","Alias": "NA","Ingredient_formula": "C19H27NO12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1558","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-β-d-apiofuranosylthalictoside
{"Ingredient_id": "HBIN012638","Ingredient_name": "6'-o-\u03b2-d-apiofuranosylthalictoside","Alias": "NA","Ingredient_formula": "C19H27NO12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1518","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}