Exact Mass: 408.0644
Exact Mass Matches: 408.0644
Found 226 metabolites which its exact mass value is equals to given mass value 408.0644
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Khelloside
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
Antibiotic MM4550
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
4-Methoxybenzenepropanol 1-(2-sulfoglucoside)
4-Methoxybenzenepropanol 1-(2-sulfoglucoside) is found in herbs and spices. 4-Methoxybenzenepropanol 1-(2-sulfoglucoside) is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 4-Methoxybenzenepropanol 1-(2-sulfoglucoside) is found in herbs and spices.
Ethyl biscoumacetate
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
riboflavin thiamine
3,5,7,4-Tetrahydroxy-3-(5-formyl-2-hydroxyphenyl)flavanone
Torosaflavone C
Flufenpyr-ethyl
CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4556 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4526; ORIGINAL_PRECURSOR_SCAN_NO 4524 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4508; ORIGINAL_PRECURSOR_SCAN_NO 4505 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4549; ORIGINAL_PRECURSOR_SCAN_NO 4546 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4526; ORIGINAL_PRECURSOR_SCAN_NO 4523 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4501; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9316; ORIGINAL_PRECURSOR_SCAN_NO 9312 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9375; ORIGINAL_PRECURSOR_SCAN_NO 9372 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9348; ORIGINAL_PRECURSOR_SCAN_NO 9345 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9363; ORIGINAL_PRECURSOR_SCAN_NO 9362 CONFIDENCE standard compound; INTERNAL_ID 185; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9405; ORIGINAL_PRECURSOR_SCAN_NO 9404
3,5,7-Trihydroxy-2,3-dihydro-2-(2,2-dihydroxy-5-formyl[1,1-biphenyl]-5-yl)-4H-1-benzopyran-4-one
3,5-dihydroxy-2-[(4-hydroxyphenyl)carbonyl]phenyl beta-D-glucopyranoside|iriflophenone 2-O-beta-D-glucopyranoside|iriflophenone 2-O-beta-glucopyranoside
4-O-beta-D-glucopyranosyl-2,3,6-trihydroxybenzophenone|prunifloroside C
9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one
3-(6-Bromo-1H-indole-3-yl)-6-(1H-indole-3-yl)piperazine-2-one
2-C-beta-D-xylopyranosyl-1,3,4,6,7-pentahydroxyxanthone|aquilarixanthone
2,4,6,3-tetrahydroxybenzophenone 4-O-beta-D-glucopyranoside|3,5-dihydroxy-4-(3-hydroxybenzoyl)phenyl beta-D-glucopyranoside|rhodanthenone A
2,4,3-trihydroxybenzophenone-6-O-beta-glucopyranoside|3,4,6-trihydroxy-benzophenone-2-O-beta-D-glucopyranoside
3,5,4-trihydroxy-4-methoxy-2-O-beta-D-xylosylbenzophenone
(E)-4-(3-(4-hydroxy-3-methoxyphenyl)acryloyloxy)-2-(methoxycarbonyl)-7-oxooxepane-4-carboxylic acid|paederoxepane B
2-methyl pyromeconic acid 3-O-beta-D-glucopyranoside-6-(O-4-hydroxybenzoate)
2.3,4,5,6-pentahydroxybenzophenone-2-O-alpha-L-rhamnopyranoside|petiolin F
4-O-beta-D-glucopyranosyl-2,6,4-trihydroxybenzophenone|4-O-??-D-Glucopyranosyl-2,6,4-trihydroxybenzophenone|iriflophenone 4-O-beta-D-glucopyranoside
5,7,4-trihydroxy-6,8,3,6-tetramethoxy-2,3-dihydroflavonol
3-chloro-9beta,15-dihydroxy-8beta-tiglinoyloxy-dehydrleucodin
ACon1_001328
Iriflophenone 3-C-glucoside is a natural product found in Aquilaria sinensis with data available. Iriflophenone 3-C-β-D-glucopyranoside, isolated from Cyclopia genistoides, has antioxidant activity[1]. Iriflophenone 3-C-β-D-glucopyranoside, isolated from Cyclopia genistoides, has antioxidant activity[1].
(4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
C19H20O10_(4-Methoxy-5-oxo-5H-furo[3,2-g]chromen-7-yl)methyl beta-D-glucopyranoside
(1s)-1,5-anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-d-glucitol
(4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone [IIN-based: Match]
(1s)-1,5-anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-d-glucitol_major
Cys Cys Pro Ser
Cys Cys Ser Pro
Cys Asp Asp Gly
Cys Asp Gly Asp
Cys Gly Asp Asp
Cys Pro Cys Ser
Cys Pro Ser Cys
Cys Ser Cys Pro
Cys Ser Pro Cys
Asp Cys Asp Gly
Asp Cys Gly Asp
Asp Asp Cys Gly
Asp Asp Gly Cys
Asp Gly Cys Asp
Asp Gly Asp Cys
Gly Cys Asp Asp
Gly Asp Cys Asp
Gly Asp Asp Cys
Pro Cys Cys Ser
Pro Cys Ser Cys
Pro Ser Cys Cys
Ser Cys Cys Pro
Ser Cys Pro Cys
Ser Pro Cys Cys
4-Methoxybenzenepropanol 1-(2-sulfoglucoside)
3-[[2-[4-[(5-nitropyridin-2-yl)amino]phenoxy]acetyl]amino]benzoic acid
1,2-Ethanediaminium,N1,N2-dimethyl-N1,N1,N2,N2-tetra-2-propen-1-yl-, bromide (1:2)
4-[4,5-DIHYDRO-5-(1H-INDOL-3-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-BENZENESULFONAMIDE
4-(2-Bromo-5-fluorophenoxy)-1-[5-(2H-tetrazol-5-yl)-3-isoxazolyl]piperidine
Elfazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Cyclooctadiene(hydroquinone)rhodium(I)tetrafluoroborate
1-((2-(6-BROMOQUINOLIN-4-YL)-1-(PYRIDIN-2-YL)ETHYLIDENE)AMINO)PYRROLIDIN-2-ONE
1-[2,6-DICHLORO-4-(FLUOROMETHYL)PHENYL]-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8,8-dimethoxyoctane
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-
ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID
2,2-bis(3,5-difluoro-4-hydroxyphenyl)hexafluoropropane
3-Ethyl-2-(2-(phenylamino)vinyl)benzo[d]thiazol-3-ium iodide
3,9-dibenzyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide
tert-Butyl-4-[3-bromo-5-(trifluoromethyl)-phenyl]-1-piperazine Carboxylate
4-(2,3-Dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-cyano-ethyl) ester 5-methyl ester
1-Methyl-1-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide
4-(chloromethyl)-6,8-difluoro-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
N-(4-Chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)azo]-3-oxobutanamide
(S)-2-[(S)-(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester
Contezolid
D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C258 - Antibiotic
Leriglitazone hydrochloride
C78272 - Agent Affecting Nervous System Leriglitazone (MIN-102; Hydroxypioglitazone) hydrochloride, a metabolite of pioglitazone. Leriglitazone hydrochloride PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy. Leriglitazone hydrochloride binds to the PPARγ C-terminal ligand-binding domain (LBD) with a Ki of 1.2 μM,Leriglitazone induces transcriptional efficacy of the PPARγ (LBD) with an EC50 of 680 nM[1].
N-{(E)-[3-(benzyloxy)phenyl]methylidene}-4-bromobenzohydrazide
N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide
(1R)-N,6-Dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Ethyl Biscoumacetate
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-1,3-benzodioxole-5-carboxamide
N-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide
(6E)-6-(3-ethoxy-4-hydroxybenzylidene)-2-(ethylsulfonyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)oxy]-N-methyl-N-phenylacetamide
2-(4-chlorophenoxy)-N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]acetamide
N-(1,3-benzodioxol-5-yl)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfinylacetamide
3-(4-chlorophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
2-Amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester
A natural product found in Laurencia marilzae.
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acid
3,4,5-Trihydroxy-6-[2-oxo-6-(3-oxobutyl)chromen-7-yl]oxyoxane-2-carboxylic acid
6-[3-[(E)-but-1-enyl]-5-hydroxy-1-oxoisochromen-6-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(3-Ethyloxiran-2-yl)-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-trihydroxy-6-[[6-[(E)-2-methoxyethenyl]-2-oxochromen-7-yl]methoxy]oxane-2-carboxylic acid
[2-ethoxy-6-nitro-4-[(E)-(5-oxo-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]phenyl] acetate
6-[3-[(E)-but-1-enyl]-6-hydroxy-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-[(E)-but-1-enyl]-7-hydroxy-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(11-Methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl) hydrogen sulate
3,4,5-trihydroxy-6-[6-[(E)-2-methoxyethenyl]-7-methyl-2-oxochromen-3-yl]oxyoxane-2-carboxylic acid
2-(4-Bromophenyl)-2-oxoethyl 12-oxododec-9(Z)-enoate
glucotropeolin(1-)
An aralkylglucosinolate that is the conjugate base of glucotropeolin; major species at pH 7.3.
2-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-6-methyloxane-3,4,5-triol
1,3,4,6,7-pentahydroxy-2-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]xanthen-9-one
2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1-(3,4,5-trihydroxyphenyl)-1,4-dihydronaphthalene-2-carboxylic acid
8,8,8-trichloro-2,7-dimethyl-n-[2-methyl-1-(1,3-thiazol-2-yl)propyl]octa-2,4-dienimidic acid
(2s,3r,4r,5r,6s)-2-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-6-methyloxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-[3,5-dihydroxy-4-(3-hydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(11e)-16-bromo-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione
4-o-β-d-glucopyranosyl-2,6,4'-trihydroxy-benzophenone
{"Ingredient_id": "HBIN010744","Ingredient_name": "4-o-\u03b2-d-glucopyranosyl-2,6,4'-trihydroxy-benzophenone","Alias": "NA","Ingredient_formula": "C19H20O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8740","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Aquilarixanthone
{"Ingredient_id": "HBIN016545","Ingredient_name": "Aquilarixanthone","Alias": "NA","Ingredient_formula": "C18H16O11","Ingredient_Smile": "C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C4=CC(=C(C=C4O3)O)O)O)O)O)O)O","Ingredient_weight": "408.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33137","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "51034839","DrugBank_id": "NA"}