Exact Mass: 330.0870104
Exact Mass Matches: 330.0870104
Found 152 metabolites which its exact mass value is equals to given mass value 330.0870104,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Vanilloyl glucose
Vanilloyl glucose is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanilloyl glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). Vanilloyl glucose can be found in a number of food items such as orange bell pepper, yellow bell pepper, pepper (c. annuum), and red bell pepper, which makes vanilloyl glucose a potential biomarker for the consumption of these food products.
3'-Glucosyl-2',4',6'-trihydroxyacetophenone
3-Glucosyl-2,4,6-trihydroxyacetophenone is found in herbs and spices. 3-Glucosyl-2,4,6-trihydroxyacetophenone is a constituent of the leaves of Syzygium aromaticum (clove). Constituent of the leaves of Syzygium aromaticum (clove). 3-Glucosylphloroacetophenone is found in herbs and spices.
Hydroxytyrosol 3'-glucuronide
Hydroxytyrosol 4'-glucuronide
1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
8-(3-Chlorostyryl)caffeine
Vanillic acid 4-beta-D-glucoside
Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-beta-D-glucoside, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products. Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-β-D-glucoside, is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products.
Orsellinic acid 2-O-beta-D-glucoside
Orsellinic acid 2-o-beta-d-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Orsellinic acid 2-o-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Orsellinic acid 2-o-beta-d-glucoside can be found in cloves, which makes orsellinic acid 2-o-beta-d-glucoside a potential biomarker for the consumption of this food product.
TGSH
CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4153; ORIGINAL_PRECURSOR_SCAN_NO 4149 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4136; ORIGINAL_PRECURSOR_SCAN_NO 4135 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4138 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4162; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8854; ORIGINAL_PRECURSOR_SCAN_NO 8852 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8857; ORIGINAL_PRECURSOR_SCAN_NO 8855 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8874; ORIGINAL_PRECURSOR_SCAN_NO 8873 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8918 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8885
maltol-(6-O-acetyl)-beta-D-glucopyranoside|Maltol-(6-O-acetyl)-??-D-glucopyranoside
3,4-dihydroxybenzoic acid 4-O-(4-O-methyl)-beta-D-glucopyranoside
2-formyl-4,4-dihydroxy-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin K
3-(beta-D-glucopyranosyloxy)-4-methoxybenzoic acid|3-hydroxy-4-methoxybenzoic acid 3-O-beta-D-glucopyranoside
methyl 4-(beta-D-glucopyranosyloxy)-3-hydroxybenzoate
2,4,6-trihydroxy-3-methylbenzaldehyde 2-O-beta-D-glucopyranoside|eucalmainoside C|eucalmanioside C
3-(EC-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
1-(3-O-beta-D-glucopyranosyl-4,5-dihydroxyphenyl)-ethanone|1-(3-O-??-D-Glucopyranosyl-4,5-dihydroxyphenyl)-ethanone
Phaseoloidin
Phaseoloidin is a natural product found in Entada pursaetha, Entada rheedei, and Entada phaseoloides with data available. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2]. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2].
Myrciaphenone A
Myrciaphenone A is a natural product found in Curcuma comosa, Leontodon tuberosus, and Myrcia multiflora with data available.
C14H18O9_Ethanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]
C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid
2-((1-Methylpropyl)amino)ethanol
7-AMINO-4-METHYL-3-COUMARINACETIC ACID N-SUCCINIMIDYL ESTER
acetic acid,4-chloro-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
C17H15ClN2O3 (330.07711500000005)
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
C17H15ClN2O3 (330.07711500000005)
[(2R,3S,5R)-3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
2-(3,5-DICHLORO-4-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C15H21BCl2O3 (330.09607260000007)
Warfarin sodium
C19H15NaO4 (330.08679900000004)
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
ETHYL 5-METHYL-8-NITRO-6-OXO-5,6-DIHYDRO-4H-BENZO[F]IMIDAZO[1,5-A][1,4]DIAZEPINE-3-CARBOXYLATE
2-BROMO-6-TERT-BUTYL-4-(1,1-DIMETHOXYETHYL)ANISOLE
C15H23BrO3 (330.08304680000003)
3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester
5-HydroxyMethyl-2,3-O-isopropylidene-2-thiouridine
4-METHYL-1-(4-AMINO-2-TRIFLUOROMETHYLPHENYL)PIPERIDINE DIHYDROCHLORIDE
1-Prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonyl-benzene
2-BENZYLSULFANYL-7-HYDROXY-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
Tasipimidine sulfate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Tasipimidine sulfate is an orally active and selective α2A-adrenoceptor agonist with a pEC50 of 7.57 against human α2A-adrenoceptor. Tasipimidine sulfate can be used for situational anxiety and fear research[1].
8-(3-Chlorostyryl)caffeine
Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.
4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid
A natural product found in Carthamus oxyacantha.
4-Methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
C14H19ClN2O3S (330.08048540000004)
(R)-3-(3-Oxo-1-phenylbutyl)-4-sodiooxy-2H-1-benzopyran-2-one
C19H15NaO4 (330.08679900000004)
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
(3r)-3-(Fluoromethyl)-7-(Thiomorpholin-4-Ylsulfonyl)-1,2,3,4-Tetrahydroisoquinoline
Pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate
C10H15BN4O6S (330.08053200000006)
5-Chloro-N-{4-[(1r)-1,2-Dihydroxyethyl]phenyl}-1h-Indole-2-Carboxamide
C17H15ClN2O3 (330.07711500000005)
5-(benzylsulfonyl)-1-(3-methoxyphenyl)-1H-tetrazole
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
1-(4-Hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
C12H12F6N2O2 (330.08029239999996)
2-[(4-nitrobenzyl)sulfanyl]-N-[(E)-pyridin-3-ylmethylidene]acetohydrazide
(5-chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
C17H15ClN2O3 (330.07711500000005)
6-(5-Ethyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-(4-Ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[5-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-hydroxyphenyl] hydrogen sulfate
4-amino-N-[2-(4-hydroxyphenyl)pyrazol-3-yl]benzenesulfonamide
Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxy-2-(hydroxymethyl)benzoate
methyl 2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
(1s,2r,4r,6r,8r,10s,12s)-12-bromo-1,8,13,13-tetramethyl-5,9,14-trioxatetracyclo[8.4.0.0²,⁶.0⁴,⁸]tetradecane
C15H23BrO3 (330.08304680000003)
[4-(4-bromo-3,3-dimethylcyclohexyl)-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methanol
C15H23BrO3 (330.08304680000003)
{3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl}methyl acetate
1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
1-(3-o-β-d-glucopyranosyl-4,5-dihydroxy-phenyl)-ethanone
{"Ingredient_id": "HBIN001273","Ingredient_name": "1-(3-o-\u03b2-d-glucopyranosyl-4,5-dihydroxy-phenyl)-ethanone","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "CC(=O)C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15615","TCMID_id": "8621","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-O-vanilloyl-β-D-glucoside
{"Ingredient_id": "HBIN002936","Ingredient_name": "1-O-vanilloyl-\u03b2-D-glucoside","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38962","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxybenzoic acid; 3-o-beta-d-glucopyranoside,me ester
{"Ingredient_id": "HBIN007392","Ingredient_name": "3,4-dihydroxybenzoic acid; 3-o-beta-d-glucopyranoside,me ester","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "NA","Ingredient_weight": "330.29","OB_score": "NA","CAS_id": "155112-92-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8283","PubChem_id": "NA","DrugBank_id": "NA"}
(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid
(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid
methyl 3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
[(1s,4s)-4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methanol
C15H23BrO3 (330.08304680000003)
(4r,5ar,9s,9as)-7-bromo-6,6,9a-trimethyl-4-(prop-1-en-2-yl)-4,5,5a,9-tetrahydro-2h-1,3-benzodioxepin-9-ol
C15H23BrO3 (330.08304680000003)
(1s,6s,12s)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-en-6-ol
C15H23BrO3 (330.08304680000003)
1-(2,4-dihydroxy-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
methyl 4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3-methoxybenzoate
2-hydroxy-3-{[(2s)-4-(4-methoxy-2-methyl-6-oxopyran-3-yl)-4-oxobutan-2-yl]sulfanyl}propanoic acid
C14H18O7S (330.07731980000005)
3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
[(1s,4s)-4-(4-bromo-3,3-dimethylcyclohexyl)-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methanol
C15H23BrO3 (330.08304680000003)
[7-(4-bromo-3,3-dimethylcyclohexyl)-3,8-dioxatricyclo[5.1.0.0²,⁴]octan-4-yl]methanol
C15H23BrO3 (330.08304680000003)
1-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
4,4'-dihydroxy-3-[2-(4-hydroxyphenyl)ethynyl]-[1,1'-biphenyl]-2-carbaldehyde
1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
1-(2,6-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
1-{2,4,6-trihydroxy-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}ethanone
4-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)benzoic acid
methyl 2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-hydroxybenzoic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methyl acetate
7-bromo-6,6,9a-trimethyl-4-(prop-1-en-2-yl)-4,5,5a,9-tetrahydro-2h-1,3-benzodioxepin-9-ol
C15H23BrO3 (330.08304680000003)
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-3-methoxybenzoate
[(2r,3s,4s,5r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
3-methoxy-4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
1-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-(hydroxymethyl)benzoate
12-bromo-1,8,13,13-tetramethyl-5,9,14-trioxatetracyclo[8.4.0.0²,⁶.0⁴,⁸]tetradecane
C15H23BrO3 (330.08304680000003)