Exact Mass: 448.06974900000006
Exact Mass Matches: 448.06974900000006
Found 74 metabolites which its exact mass value is equals to given mass value 448.06974900000006,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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)
2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione
2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is found in fruits. 2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is isolated from leaves of Garcinia dulcis (mundu). Isolated from leaves of Garcinia dulcis (mundu). 2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione is found in fruits.
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
C14H26NO9S3 (448.07696460000005)
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
C20H18ClFN4O3S (448.07721200000003)
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
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)
GW 842166X
4'',5,5',7,7'-Pentahydroxyflavanone-(3,8)-chromone
XL147
C21H16N6O2S2 (448.07761159999995)
Chloro(2-ethyl-1,3-cyclopentadien-1-yl)nickel - triphenylphosphin e (1:1)
6-(4-chlorophenyl)sulfanyl-5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]pyridine-3-carboxamide
C19H17ClN4O5S (448.06081420000004)
3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
S-[(2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-oxo-3-(1H-1,2,4-triazol-1-yl)propan-2-yl]-L-cysteine
C20H18ClFN4O3S (448.07721200000003)
6-(Methylthio)hexyl-glucosinolate
C14H26NO9S3- (448.07696460000005)
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
C19H20N4O3S3 (448.06974900000006)
N-[3-(2,1,3-benzothiadiazol-4-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide
C21H16N6O2S2 (448.07761159999995)
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate
C16H20N2O9S2 (448.06101900000004)
2,3-Dihydro-5,5,7,7-tetrahydroxy-2-(4-hydroxyphenyl)[3,8-bi-4H-1-benzopyran]-4,4-dione
indolylmethylglucosinolate
C16H20N2O9S2 (448.06101900000004)
A glucosinolate that is the conjugate base of indolylmethylglucosinolic acid.
(16s,17r)-17-(3,4-dihydroxyphenyl)-6,11,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,6,8,10,13,19-heptaen-5-one
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
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"}
8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxychromen-4-one
(16r,17r)-17-(3,4-dihydroxyphenyl)-6,11,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,6,8,10,13,19-heptaen-5-one
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)
5,10,13,17,19-pentahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaene-6-carboxylic acid
17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one
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
(16r,17r)-17-(3,4-dihydroxyphenyl)-5,6,16-trihydroxy-2,12,18-trioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),3,5,7,9,13,19-heptaen-11-one
(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
(10r)-2,5,10,17,19-pentahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaene-6-carboxylic 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)