Exact Mass: 448.0284
Exact Mass Matches: 448.0284
Found 104 metabolites which its exact mass value is equals to given mass value 448.0284,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucobrassicin
Constituent of Brassica and Raphanus subspecies, e.g. rape (Brassica napus variety napus) and Brussels sprouts (Brassica oleracea variety gemmifera). Glucobrassicin is found in many foods, some of which are capers, swede, white cabbage, and common cabbage. Glucobrassicin is found in brassicas. Glucobrassicin is a constituent of Brassica and Raphanus species, e.g. rape (Brassica napus var. napus) and Brussels sprouts (Brassica oleracea var. gemmifera)
6-Benzyl-1-(benzyloxymethyl)-5-iodouracil
Ellagic acid 2-rhamnoside
Ellagic acid 2-rhamnoside 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. Ellagic acid 2-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ellagic acid 2-rhamnoside can be found in pomegranate, which makes ellagic acid 2-rhamnoside a potential biomarker for the consumption of this food product.
6-methylthiohexylglucosinolate
6-methylthiohexylglucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 6-methylthiohexylglucosinolate can be found in a number of food items such as chinese cabbage, soy bean, mixed nuts, and evergreen huckleberry, which makes 6-methylthiohexylglucosinolate a potential biomarker for the consumption of these food products.
EP_M449
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2202
(+/-)-(3E,6S*,7R*,95*,10S*,12R*)-9-chloro-13-bromo-6:12-epoxy-7,10-diacetoxypentadec-3-en-1-yne
GW842166X
Indolylmethyl glucosinolate
Annotation level-3 Acquisition and generation of the data is financially supported by the Max-Planck-Society
Glucobrassicin
An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur.
GW 842166X
Chloro(2-ethyl-1,3-cyclopentadien-1-yl)nickel - triphenylphosphin e (1:1)
5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-galactosaminide
5-Bromo-4-chloro-3-indolyl-2-acetamido-2-deoxy-α-D-galactopyranoside
6-(4-chlorophenyl)sulfanyl-5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]pyridine-3-carboxamide
3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
5-Bromo-4-chloro-3-indolyl N-acetyl-beta-D-glucosaminide
An indolyl carbohydrate that is the N-acetyl-beta-D-glucosaminide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively.
ethyl 6-broMo-5-hydroxy-1-Methyl-2-((phenylthioMethylaMino)Methyl)-1H-indole-3-carboxylate
5-BROMO-4-CHLORO-3-INDOLYL-N-ACETYL-β-D-GLUCOSAMINIDE
1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]-2-chloroethanone
Sulfoxone sodium
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
[2-(3-Dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
2-Bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-YL)amino]methyl}phenyl sulfamate
2[4-Bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1H),3-pyrrolidine]-1,2,3,5(2H)-tetrone
5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
N-(2-aminoethyl)-2,4-dichloro-N-{4-[(4-chlorophenyl)methoxy]phenyl}benzamide
S-[(2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-oxo-3-(1H-1,2,4-triazol-1-yl)propan-2-yl]-L-cysteine
N-[3-[(2,6-difluorophenyl)sulfonylamino]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
1-(4-Bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester
2-(2,4-Dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
2-[[(2-Chlorophenyl)-oxomethyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide
[8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxopyrano[3,2-g]chromen-2-yl]methyl hydrogen sulate
[4-(3,5-dihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)-2-methoxyphenyl] hydrogen sulate
methyl 3-O-(3-O-sulfonato-beta-D-glucopyranosyluronate)-beta-D-galactopyranoside
[3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxopyrano[2,3-h]chromen-8-yl]methyl hydrogen sulate
3,6,7-trihydroxy-2-(3-methoxy-4-sulooxyphenyl)-3,4-dihydro-2H-chromene-5-sulinic acid
3,5,6-trihydroxy-2-(4-methoxy-3-sulfooxyphenyl)-3,4-dihydro-2H-chromene-7-sulfinic acid
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate
indolylmethylglucosinolate
A glucosinolate that is the conjugate base of indolylmethylglucosinolic acid.
3-{[(4z)-2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxyimidazol-4-ylidene]methyl}-1h-indol-6-ol
6,14-dihydroxy-7-methoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
[(z)-[2-(1h-indol-3-yl)-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1s)-1-bromopropyl]-5-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
[(e)-[2-(1h-indol-3-yl)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
6,14-dihydroxy-7-methoxy-13-{[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
2-hydroxy-3-(sulfooxy)-12h-indolo[3,2-c]carbazole-5-sulfonic acid
6,7-dihydroxy-14-methoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
3-O-methylellagic acid-4'-O-β-D-xylopyroside
{"Ingredient_id": "HBIN009353","Ingredient_name": "3-O-methylellagic acid-4'-O-\u03b2-D-xylopyroside","Alias": "NA","Ingredient_formula": "C20H16O12","Ingredient_Smile": "COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O)OC5C(C(C(CO5)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38693","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(α-rhamnopyranosyl)ellagicacid
{"Ingredient_id": "HBIN010211","Ingredient_name": "4-(\u03b1-rhamnopyranosyl)ellagicacid","Alias": "NA","Ingredient_formula": "C20H16O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "18682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
