Exact Mass: 448.0164452
Exact Mass Matches: 448.0164452
Found 94 metabolites which its exact mass value is equals to given mass value 448.0164452,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucobrassicin
C16H20N2O9S2 (448.06101900000004)
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.
(+/-)-(3E,6S*,7R*,95*,10S*,12R*)-9-chloro-13-bromo-6:12-epoxy-7,10-diacetoxypentadec-3-en-1-yne
Indolylmethyl glucosinolate
C16H20N2O9S2 (448.06101900000004)
Annotation level-3 Acquisition and generation of the data is financially supported by the Max-Planck-Society
Glucobrassicin
C16H20N2O9S2 (448.06101900000004)
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.
Glucobrassicin (Indol-3-ylmethylglucosinolate)
C16H20N2O9S2 (448.06101900000004)
3-[(3,4-Dichlorophenyl)sulfonyl]-2-(4-methoxy-3-nitrophenyl)-1,3- thiazolidine
Chloro(2-ethyl-1,3-cyclopentadien-1-yl)nickel - triphenylphosphin e (1:1)
5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-galactosaminide
6,13-dibromo-1a,2,3,4,4a,5-hexahydro-1H-indeno[2,1-d]fluorene-9,10-diol
5-BROMO-2,3,5-TRI-O-ACETYLURIDINE
C15H17BrN2O9 (448.01173719999997)
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
C19H17ClN4O5S (448.06081420000004)
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
C18H11ClF6N4O (448.05255379999994)
Thiamphenicol glycinate hydrochloride
C14H19Cl3N2O6S (448.00293640000007)
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
C20H18O8P2 (448.04768879999995)
2-Bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-YL)amino]methyl}phenyl sulfamate
C16H13BrN6O3S (447.99531680000007)
2[4-Bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1H),3-pyrrolidine]-1,2,3,5(2H)-tetrone
(E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
C21H12N4O4S2 (448.02999520000003)
N-(2-aminoethyl)-2,4-dichloro-N-{4-[(4-chlorophenyl)methoxy]phenyl}benzamide
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-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamide
C19H13ClN2O3S3 (447.9776818000001)
2-[[(2-Chlorophenyl)-oxomethyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
C18H13Cl2F3N2O4 (448.02044340000003)
[8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxopyrano[3,2-g]chromen-2-yl]methyl hydrogen sulate
C20H16O10S (448.04641560000005)
[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
C13H20O15S-2 (448.0522890000001)
[3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxopyrano[2,3-h]chromen-8-yl]methyl hydrogen sulate
C20H16O10S (448.04641560000005)
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
C16H20N2O9S2 (448.06101900000004)
indolylmethylglucosinolate
C16H20N2O9S2 (448.06101900000004)
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
C16H20N2O9S2 (448.06101900000004)
(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
C16H20N2O9S2 (448.06101900000004)
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"}
6,14-dihydroxy-7-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
{[2-(1h-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid
C16H20N2O9S2 (448.06101900000004)
3-{[2-(5-bromo-1h-indole-3-carbonyl)-5-hydroxy-3h-imidazol-4-yl]methylidene}indol-6-ol
7,13,14-trihydroxy-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1s)-1-bromopropyl]-5-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid
7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate
(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1r)-1-bromopropyl]-5-chloro-8-(pent-2-en-4-yn-1-yl)oxocan-4-yl acetate
(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-[(1r)-1-bromopropyl]-5-chloro-8-[(2e)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
6,7-dihydroxy-14-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-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
C16H20N2O9S2 (448.06101900000004)
(2r,4s,5s,7r,8s)-7-(acetyloxy)-2-(1-bromopropyl)-5-chloro-8-[(2z)-pent-2-en-4-yn-1-yl]oxocan-4-yl acetate
6,13-dihydroxy-7-methoxy-14-{[(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
{[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
C16H20N2O9S2 (448.06101900000004)