Exact Mass: 382.0455
Exact Mass Matches: 382.0455
Found 231 metabolites which its exact mass value is equals to given mass value 382.0455,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quercetin 3-sulfate
N-acyl-d-mannosamine, also known as quercetin 3-(hydrogen sulfate) or quercetin 3-monosulphate, is a member of the class of compounds known as 3-sulfated flavonoids. 3-sulfated flavonoids are flavonoids that are sulfated at the 3-ring position of the flavonoid skeleton. Thus, N-acyl-d-mannosamine is considered to be a flavonoid lipid molecule. N-acyl-d-mannosamine is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). N-acyl-d-mannosamine can be found in dill, which makes N-acyl-d-mannosamine a potential biomarker for the consumption of this food product. N-acyl-d-mannosamine may be a unique E.coli metabolite.
5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole
Nogalonic acid
A dihydroxyanthraquinone that is 1,8-dihydroxy-9,10-anthraquinone which is substituted a position 2 by a 3-oxobutanoyl group and at position 3 by a carboxymethyl group. An intermediate in the biosynthesis of nogalamycin.
(+)-12a-Hydroxypachyrrhizone
(+)-12a-Hydroxypachyrrhizone is found in jicama. (+)-12a-Hydroxypachyrrhizone is isolated from yam beans (Pachyrrhizus erosus Isolated from yam beans (Pachyrrhizus erosus). (+)-12a-Hydroxypachyrrhizone is found in jicama and pulses.
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside is found in green vegetables. 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside is a constituent of Rheum sp Constituent of Rheum species 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside is found in green vegetables.
Quercetin 3'-sulfate
Quercetin 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
hesperetin 3'-O-sulfate
Hesperetin 3-O-sulfate is an orange/orange juice metabolite in urine.
8-Hydroxyluteolin 8-sulfate
8-Hydroxyluteolin 8-sulfate is isolated from annatto (Bixa orellana).
Olsalazine-O-sulfate
Olsalazine-O-sulfate is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
Hesperetin 5-sulfate
Hesperetin 7-sulfate
2-(4-(3,4-Dichlorophenylureido)phenoxy)-2-methylpropionic acid
Mefruside
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
2-(1H-Benzimidazol-2-ylsulfanyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
mefruside
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
3,5,6-trihydroxy-2-methyl-1,4-naphthoquinone-6-O-beta-glucoside|dioncoquinone A
clionastatin A
An androstanoid that is androsta-3,5,8,16-tetraene substituted by chloro groups at positions 1, 12 and 19 and oxo groups at positions 7 and 15 (the 1beta,2alpha stereoisomer). It is isolated from burrowing sponge Cliona nigricans and exhibits cytotoxic efficacy.
5-Carboxymethyluridin-5-phosphat|[2,4-dioxo-1-(O5-phosphono-beta-D-ribofuranosyl)-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetic acid
7-O-(6-acetoxy-beta-D-glucopyranosyl)-8-hydroxycoumarin
5-Carboxymethyluridin-2-phosphat|[2,4-dioxo-1-(O2-phosphono-beta-D-ribofuranosyl)-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetic acid
8-chloro-5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenethyl)-5,6,7,8-tetrahydro-4h-chromen-4-one
rel-(1S,2R,3R,5S,7R)-7-[(E)-caffeoyloxymethyl]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
(E)-2-(4-hydroxy-3-methoxybenzylidene)-5-methoxy-2H-[1,4]dioxino[2,3-h]chromene-3,9-dione|indicumin E
9,10-Dioxo-9,10-dihydroanthracene-1,2,4-triyl triacetate
5-Carboxymethyluridin-3-phosphat|[2,4-dioxo-1-(O3-phosphono-beta-D-ribofuranosyl)-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetic acid
3,5,8-trihydroxy-2-methyl-1,4-naphthoquinone 5-O-beta-glucoside|hydroxydroserone 5-O-beta-glucoside
(-)-epigallocatechin 4-(2-hydroxyethyl)thio ether|4beta-(2-hydroxyethylsulfanyl)epigallocatechin
3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
3-chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based: Match]
2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid [IIN-based on: CCMSLIB00000848522]
2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid [IIN-based: Match]
hesperetin 3-O-sulfate
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside
8-Hydroxyluteolin 8-sulfate
Bactobolin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic
2-ETHOXY-5-(TEREPHTHALAMIDO) BENZENE-1-SULFONYL CHLORIDE
dichloro[rac-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)]titanium(iv)
Methyl 4-acetoxy-8-bromo-5,6-dimethoxy-2-naphthoate
5-(4-DIMETHYLAMINO-BENZOYLAMINO)-2-ETHOXY-BENZENESULFONYL CHLORIDE
1,4-BUTANEDIOL BIS(2,2,2-TRIFLUOROETHANE SULPHONATE)
3-[(4-chloro-2-nitrophenyl)azo]-2-methylpyrazolo[5,1-b]quinazolin-9(1H)-one
6-(5-chloro-pyridin-2-yl)-7-phenoxycarbonyloxy-6,7-dihydro-pyrrolo3,4-bpyrazin-5-one
Glufosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
3-[2-(2-iodoacetamido)acetamido]-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
Borax
Listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported use. Historically used as a food preservative since ca. 1800, common in butter/margarine. Now limited to preservation of caviar
5-Chloro-3-tert-butyl-2-chloro-4-nitrosalicylanilide
Cresol red
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins
Acetamide, 2-bromo-N-[4-[(methylphenylamino)sulfonyl]phenyl]-
2,5-Diamino-4,6-dihydropyrimidine hemisulfate salt
ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE
TriMethylpropylamMonium Bis(trifluoromethanesulfonyl)imide
Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]Methyl]-1,3-dichloro
[3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl] 2-methylprop-2-enoate
DICHLORO-(S,S)-ETHYLENEBIS-(4,5,6,7-TETRAHYDRO-1-INDENYL)-TITANIUM(IV)
dichloro-(r,r)-ethylenebis-(4,5,6,7-tetrahydro-1-indenyl)-titanium(iv)
2-[4-({[(3,5-Dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid
2-{2-[5-amino-4-(3-thienyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl}acetic acid
2-[5-[(2-Chlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
3-[[4-Phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
3-Chloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
4-(2-Aminoethoxy)-3,5-Dichloro-N-[3-(1-Methylethoxy)phenyl]benzamide
hesperetin 3'-O-sulfate
A polyphenol metabolite detected in biological fluids [PhenolExplorer] Hesperetin 3-O-sulfate is an orange/orange juice metabolite in urine.
7-(2-carboxylato-5,6-dihydroxy-1H-indol-4-yl)-5,6-dihydroxy-1H-indole-2-carboxylate
4-(2-carboxylato-5,6-dihydroxy-1H-indol-4-yl)-5,6-dihydroxy-1H-indole-2-carboxylate
(1S)-3-acetyl-1,4,5,6,7,9-hexahydroxy-1H-tetracen-2-one
Olsalazine-O-sulfate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dien-1-yl]phenyl hydrogen sulfate
(1S,2S,10S,13R,14R)-1,2-dichloro-10-(chloromethyl)-13-methyl-2,11,12,14-tetrahydro-1H-cyclopenta[a]phenanthrene-7,15-dione
(E)-1-(4-hydroxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]prop-2-en-1-one
1-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
6-Amino-2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonic acid
(6E)-5-azanylidene-2-methyl-6-[[5-(phenylmethylsulfanyl)furan-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
6-amino-1-(2-methoxyethyl)-N-(4-methylphenyl)sulfonyl-2,4-dioxo-5-pyrimidinecarboxamide
N-(4-bromo-2-fluorophenyl)-2-(2,4-dimethoxyanilino)acetamide
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide
2-(2,4-Dichlorophenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one
4-Morpholinyl-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
7-(beta-D-Glucopyranosyloxyl)-2-oxo-2H-1-benzopyran-4-acetic acid
2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2,3-didehydropenam-2-carboxylate
[5,7-Dihydroxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
6-[(5-Acetyl-4-methoxy-1-benzofuran-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3-Chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole
BU-4704
An aryl sulfate that is phenyl hydrogen sulfate substituted by a (1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dien-1-yl group at position 4. An Aspergillus metabolite isolated from Aspergillus and Aspergillus fumigatus.
tetracenomycin F2(2-)
A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 7-hydroxy groups of tetracenomycin F2. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
ceftizoxime(1-)
The monocarboxylic acid anion formed by deprotonating ceftizoxime at the carboxyl oxygen.
(2s)-n-[(3s,4r,4ar,5r,6r)-3-(dichloromethyl)-1,5,6-trihydroxy-3-methyl-8-oxo-4a,5,6,7-tetrahydro-4h-2-benzopyran-4-yl]-2-aminopropanimidic acid
8,9-dichloro-9a-(chloromethyl)-11a-methyl-3ah,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3,4-dione
{3,4,5-trihydroxy-6-[(8-hydroxy-2-oxochromen-7-yl)oxy]oxan-2-yl}methyl acetate
(1r,13r)-1-hydroxy-16-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
2,5-dihydroxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-1,4-dione
3,5-dihydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-1,4-dione
12α-hydroxypachyrrhizone
{"Ingredient_id": "HBIN000711","Ingredient_name": "12\u03b1-hydroxypachyrrhizone","Alias": "NA","Ingredient_formula": "C20H14O8","Ingredient_Smile": "COC1=C2C(=CC3=C1OC4COC5=CC6=C(C=C5C4(C3=O)O)OCO6)C=CO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10588","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12alpha-hydroxypachyr(r)hyzone
{"Ingredient_id": "HBIN000712","Ingredient_name": "12alpha-hydroxypachyr(r)hyzone","Alias": "NA","Ingredient_formula": "C20H14O8","Ingredient_Smile": "COC1=C2C(=CC3=C1OC4COC5=CC6=C(C=C5C4(C3=O)O)OCO6)C=CO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31248","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-carboxy-7-glucosyloxy-2-methyl-benzopyran-gamma-one
{"Ingredient_id": "HBIN011485","Ingredient_name": "5-carboxy-7-glucosyloxy-2-methyl-benzopyran-gamma-one","Alias": "NA","Ingredient_formula": "C17H18O10","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30739","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-carboxy-7-glucosyloxy-2-methyl-benzopyran-γ-one
{"Ingredient_id": "HBIN011486","Ingredient_name": "5-carboxy-7-glucosyloxy-2-methyl-benzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C17H18O10","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14577","TCMID_id": "3172","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-dihydroxy-2h-1-benzopyran-2-one,9ci; 7-o-(6-o-acetyl-beta-d-glucopyranoside)
{"Ingredient_id": "HBIN012065","Ingredient_name": "6,7-dihydroxy-2h-1-benzopyran-2-one,9ci; 7-o-(6-o-acetyl-beta-d-glucopyranoside)","Alias": "NA","Ingredient_formula": "C17H18O10","Ingredient_Smile": "NA","Ingredient_weight": "382.32","OB_score": "NA","CAS_id": "161842-81-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7617","PubChem_id": "NA","DrugBank_id": "NA"}
