Exact Mass: 398.2457
Exact Mass Matches: 398.2457
Found 284 metabolites which its exact mass value is equals to given mass value 398.2457
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Tris(2-butoxyethyl) phosphate
CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10134; ORIGINAL_PRECURSOR_SCAN_NO 10129 CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10034; ORIGINAL_PRECURSOR_SCAN_NO 10029 CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10135; ORIGINAL_PRECURSOR_SCAN_NO 10134 CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10156; ORIGINAL_PRECURSOR_SCAN_NO 10155 CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10080; ORIGINAL_PRECURSOR_SCAN_NO 10079 CONFIDENCE standard compound; INTERNAL_ID 610; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10078; ORIGINAL_PRECURSOR_SCAN_NO 10077 CONFIDENCE standard compound; INTERNAL_ID 2467 CONFIDENCE standard compound; INTERNAL_ID 8244 CONFIDENCE standard compound; INTERNAL_ID 8806
Variabilin
Variabilin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Variabilin can be found in lentils, which makes variabilin a potential biomarker for the consumption of this food product.
5-[13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-hydroxy-3-methylfuran-2-one
2-[13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trienyl]-3-hydroxy-4-methyl-2H-furan-5-one
(20S,22S,23R,24S)-13beta,22:22,25-diepoxy-5-methoxy-14beta-methyl-18-nor-des-A-ergosta-5,7,9,11-tetraen-23-ol|agariblazeispirol B
(-)-candelalide A|3-[(4aR,6aR,7R,10aR,10bR)-6a,10b-dimethyl-8-methylene-4a,5,6,6a,7,8,9,10a,10b-decahydro-1H-benzo[f]chromen-7-yl]methyl-5,6-dimethyl-2-methoxy-4H-pyran-4-one|3-[[(4aR,6aR,7R,10aR,10bR)-6a,10b-dimethyl-8-methylene-4a,5,6,6a,7,8,9,10,10a,10b-decahydro-1H-benzo[f]chromen-7-yl]methyl]-2-methoxy-5,6-dimethyl-4H-pyran-4-one|Candelalide A
5-<13-(furan-3-yl)-2,6,10-trimethyltrideca-2,6,8-trienyl>-4-hydroxy-3-methylfuran-2(5H)-one|5-[13-(3-Furanyl)-2, 6, 10-trimethyl-2, 6, 8-tridecatrienyl]-4-hydroxy-3-methyl-2(5H)-furanone|5-[13-(furan-3-yl)-2,6,10-trimethyltrideca-2,6,8-trienyl]-4-hydroxy-3-methylfuran-2(5H)-one
ferulic ester of 2-octahydro-3a,7,7,7a-tetramethyl-1-methylene-1-H-indenemethanol
lehualide G
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 3, a hydroxy group at position 4, a methyl group at position 5 and a (2E)-3-methyl-11-phenylundec-2-en-1-yl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.
11-Hydroxy-19-(3-methylbutanoyloxy)-5,7,9(11),13-abietatetraen-12-on
Ala Ile Pro Val
Ala Ile Val Pro
Ala Leu Pro Val
Ala Leu Val Pro
Ala Pro Ile Val
Ala Pro Leu Val
Ala Pro Val Ile
Ala Pro Val Leu
Ala Val Ile Pro
Ala Val Leu Pro
Ala Val Pro Ile
Ala Val Pro Leu
Gly Ile Ile Pro
Gly Ile Leu Pro
Gly Ile Pro Ile
Gly Ile Pro Leu
Gly Leu Ile Pro
Gly Leu Leu Pro
Gly Leu Pro Ile
Gly Leu Pro Leu
Gly Pro Ile Ile
Gly Pro Ile Leu
Gly Pro Leu Ile
Gly Pro Leu Leu
Ile Ala Pro Val
Ile Ala Val Pro
Ile Gly Ile Pro
Ile Gly Leu Pro
Ile Gly Pro Ile
Ile Gly Pro Leu
Ile Ile Gly Pro
Ile Ile Pro Gly
Ile Leu Gly Pro
Ile Leu Pro Gly
Ile Pro Ala Val
Ile Pro Gly Ile
Ile Pro Gly Leu
Ile Pro Ile Gly
Ile Pro Leu Gly
Ile Pro Val Ala
Ile Val Ala Pro
Ile Val Pro Ala
Leu Ala Pro Val
Leu Ala Val Pro
Leu Gly Ile Pro
Leu Gly Leu Pro
Leu Gly Pro Ile
Leu Gly Pro Leu
Leu Ile Gly Pro
Leu Ile Pro Gly
Leu Leu Gly Pro
Leu Leu Pro Gly
Leu Pro Ala Val
Leu Pro Gly Ile
Leu Pro Gly Leu
Leu Pro Ile Gly
Leu Pro Leu Gly
Leu Pro Val Ala
Leu Val Ala Pro
Leu Val Pro Ala
Pro Ala Ile Val
Pro Ala Leu Val
Pro Ala Val Ile
Pro Ala Val Leu
Pro Gly Ile Ile
Pro Gly Ile Leu
Pro Gly Leu Ile
Pro Gly Leu Leu
Pro Ile Ala Val
Pro Ile Gly Ile
Pro Ile Gly Leu
Pro Ile Ile Gly
Pro Ile Leu Gly
Pro Ile Val Ala
Pro Leu Ala Val
Pro Leu Gly Ile
Pro Leu Gly Leu
Pro Leu Ile Gly
Pro Leu Leu Gly
Pro Leu Val Ala
Pro Val Ala Ile
Pro Val Ala Leu
Pro Val Ile Ala
Pro Val Leu Ala
Val Ala Ile Pro
Val Ala Leu Pro
Val Ala Pro Ile
Val Ala Pro Leu
Val Ile Ala Pro
Val Ile Pro Ala
Val Leu Ala Pro
Val Leu Pro Ala
Val Pro Ala Ile
Val Pro Ala Leu
Val Pro Ile Ala
Val Pro Leu Ala
1-(2,6-Dihydroxy-4-methoxyphenyl)-6Z,9Z,12Z,15Z-octadecatetraen-1-one
2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid,hexane-1,6-diol
5-(13-(3-Furanyl)-2,6,10-trimethyl-6,10-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone
[3-carboxy-2-[(9E,11E)-13-carboxytrideca-9,11-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-13-carboxytrideca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-13-carboxytrideca-2,4-dienoyl]oxypropyl]-trimethylazanium
candelalide A
A diterpenoid isolated from Sesquicillium candelabrum and has been shown to act as a blocker of the voltage-gated potassium channel Kv1.3.
(3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate
(3R)-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylate
An oxo monocarboxylic acid anion that is the a dianion resulting from the carboxy group and the beta-keto-enol group of 3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid; major species at pH 7.3.
7-[2-(2-hydroxypropyl)-3,6,8-trimethyl-7-oxo-5,6,8,8a-tetrahydro-1h-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
15-hydroxy-6-(2-hydroxy-5-oxohex-3-en-2-yl)-5-methyltetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
4-[(3e,7e)-4,8-dimethyl-11-[(3z)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]undeca-3,7-dien-1-yl]-5h-furan-2-one
1-(2,6-dihydroxy-4-methoxyphenyl)octadeca-6,9,12,15-tetraen-1-one
5-[13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dien-1-ylidene]-4-hydroxy-3-methylfuran-2-one
3,4a-dimethyl-3-(2,4,6-trimethyl-8-phenylocta-4,6-dien-1-yl)-dihydro-4h-furo[3,2-c][1,2]dioxin-6-one
(1'r,3r,4s,10'r,11'r,12's)-5'-methoxy-4,5,5,6',10',12'-hexamethyl-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane]-2',4',6',8'-tetraen-3-ol
2-methoxy-3,5-dimethyl-6-[(1r,6s)-1,3,5-trimethyl-6-[(2e,4r)-4-methyl-5-oxohept-2-en-2-yl]cyclohexa-2,4-dien-1-yl]pyran-4-one
(2e,4e,6e,8e,10e)-13-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2,7,11-trimethyl-12-oxotrideca-2,4,6,8,10-pentaenal
2-methoxy-3,5-dimethyl-6-[(1s,4s,5r,6s)-1,3,6-trimethyl-4-[(2e,4r)-4-methyl-5-oxohept-2-en-2-yl]bicyclo[3.1.0]hex-2-en-6-yl]pyran-4-one
4-[(3z,7e)-4,8-dimethyl-11-[(3z,5s)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]undeca-3,7-dien-1-yl]-5h-furan-2-one
2-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl}-4-(acetyloxy)phenyl acetate
13-(1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl)-2,6,11-trimethyltrideca-2,4,6,8,10,12-hexaenoic acid
(6z,9z,12z,15z)-1-(2,6-dihydroxy-4-methoxyphenyl)octadeca-6,9,12,15-tetraen-1-one
(5-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-3,4-dihydro-2h-phenanthren-1-yl)methyl 3-methylbutanoate
(1r,4s,7s)-7-[(1e,3e,5z,7e,9s,10e)-9-hydroxy-6,8,10-trimethyldodeca-1,3,5,7,10-pentaen-1-yl]-4,6,6,7-tetramethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione
(4ar)-7-hydroxy-2,2-dimethyl-4a,8-bis(3-methylbut-2-en-1-yl)-6-(2-methylpropanoyl)chromen-5-one
n-(2-hydroxy-1-{[(2s)-1-[(2r)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]-c-hydroxycarbonimidoyl}ethyl)-6-methylheptanimidic acid
[(2r,3ar,7ar)-3a,7,7,7a-tetramethyl-1-methylidene-tetrahydro-2h-inden-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(5s)-5-[(2z,6e,10e)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,6,10-trien-1-yl]-4-hydroxy-3-methyl-5h-furan-2-one
14-epi-neovibsanin g
{"Ingredient_id": "HBIN001453","Ingredient_name": "14-epi-neovibsanin g","Alias": "NA","Ingredient_formula": "C25H34O4","Ingredient_Smile": "CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(=C)C)C)C","Ingredient_weight": "398.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15466","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11188728","DrugBank_id": "NA"}