Exact Mass: 478.0718

Exact Mass Matches: 478.0718

Found 41 metabolites which its exact mass value is equals to given mass value 478.0718, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

4-Methoxyglucobrassicin

4-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0716)


An indolylmethylglucosinolic acid that is glucobrassicin bearing a methoxy substituent at position 4 on the indole ring.

   

Neoglucobrassicin

{[(E)-[2-(1-methoxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid

C17H22N2O10S2 (478.0716)


Neoglucobrassicin, also known as MIMG, belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, neoglucobrassicin has been detected, but not quantified in, several different foods, such as swedes, garden cress, Brussel sprouts, Chinese cabbages, and kohlrabis. This could make neoglucobrassicin a potential biomarker for the consumption of these foods. Neoglucobrassicin is widespread in Brassica species and found in the Cruciferae, Tovariaceae, Capparidaceae, and Resedaceae. Widespread in Brassica subspecies and found in the Cruciferae, Tovariaceae, Capparidaceae and Resedaceae

   

5-Methoxyglucobrassicin

{[(Z)-[2-(5-methoxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

C17H22N2O10S2 (478.0716)


5-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 5-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-methoxyglucobrassicin can be found in broccoli, cauliflower, and kohlrabi, which makes 5-methoxyglucobrassicin a potential biomarker for the consumption of these food products.

   

4-Methoxyglucobrassicin

{[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

C17H22N2O10S2 (478.0716)


4-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methoxyglucobrassicin can be found in a number of food items such as broccoli, chinese mustard, chinese cabbage, and capers, which makes 4-methoxyglucobrassicin a potential biomarker for the consumption of these food products.

   

14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A

14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A

C20H32Br2O3 (478.0718)


   

5-Methoxyglucobrassicin

5-Methyoxy-3-indolylmethylglucosinolate

C17H22N2O10S2 (478.0716)


   

3,15-dibromo-7,12,16-trihydroxyisopimar-9(11)-ene|3,15-Dibromo-9(11)-isopimarene-7,16-diol-12alpha-Hydroxy

3,15-dibromo-7,12,16-trihydroxyisopimar-9(11)-ene|3,15-Dibromo-9(11)-isopimarene-7,16-diol-12alpha-Hydroxy

C20H32Br2O3 (478.0718)


   

11-O-deacetylpinnaterpene C|rel-(1R,3aR,4R,7S,7aR,9S)-4-bromo-1-{[(1R,4R)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-octahydro-7-methyl-7,3a-(epoxymethano)-3aH-inden-9-ol

11-O-deacetylpinnaterpene C|rel-(1R,3aR,4R,7S,7aR,9S)-4-bromo-1-{[(1R,4R)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-octahydro-7-methyl-7,3a-(epoxymethano)-3aH-inden-9-ol

C20H32Br2O3 (478.0718)


   

12S-hydroxybromosphaerodiol

12S-hydroxybromosphaerodiol

C20H32Br2O3 (478.0718)


   

4-Methoxy-3-indolylmethyl glucosinolate

4-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0716)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

1-Methoxy-3-indolylmethyl glucosinolate

1-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0716)


   

N-Methoxy-3-indolylmethyl glucosinolate

N-Methoxy-3-indolylmethyl glucosinolate

C17H22N2O10S2 (478.0716)


   

1-Methoxyglucobrassicin

1-Methoxyglucobrassicin

C17H22N2O10S2 (478.0716)


   

4-Methoxyindol-3-ylmethyl glucosinolate

4-Methoxyindol-3-ylmethyl glucosinolate

C17H22N2O10S2 (478.0716)


   

1-Methoxyindol-3-ylmethyl glucosinolate

1-Methoxyindol-3-ylmethyl glucosinolate

C17H22N2O10S2 (478.0716)


   

Neoglucobrassicin

Neoglucobrassicin

C17H22N2O10S2 (478.0716)


An indolyl carbohydrate that is glucobrassicin methoxy substituted at position 1 of the indole moiety.

   

4-Methoxyglucobrassicin (4-Methoxy-3-indolylmethyl glucosinolate)

4-Methoxyglucobrassicin (4-Methoxy-3-indolylmethyl glucosinolate)

C17H22N2O10S2 (478.0716)


   

Neoglucobrassicin (1-Methoxy-3-indolylmethyl glucosinolate)

Neoglucobrassicin (1-Methoxy-3-indolylmethyl glucosinolate)

C17H22N2O10S2 (478.0716)


   

Indolylmethyl glucosinolate + 1MeO

Indolylmethyl glucosinolate + 1MeO

C17H22N2O10S2 (478.0716)


Annotation level-3

   

Scopolin

Afzelin (kaempferol 3-rhamnoside)

C17H22N2O10S2 (478.0716)


   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

C17H22N2O10S2 (478.0716)


   

1-Methoxy-3-indolylmethylglucosinolate

1-Methoxy-3-indolylmethylglucosinolate

C17H22N2O10S2 (478.0716)


   

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

C17H22N2O10S2 (478.0716)


   

(1s,3s,4s,4as,6s,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,6,7,8,9,10-octahydro-1h-phenanthrene-3,4,6-triol

(1s,3s,4s,4as,6s,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,6,7,8,9,10-octahydro-1h-phenanthrene-3,4,6-triol

C20H32Br2O3 (478.0718)


   

1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,4b,5,8,9,10-octahydro-1h-phenanthrene-3,4,5-triol

1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,4b,5,8,9,10-octahydro-1h-phenanthrene-3,4,5-triol

C20H32Br2O3 (478.0718)


   

9-bromo-4-[(4-bromo-1-hydroxy-3,3-dimethylcyclohexyl)methyl]-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

9-bromo-4-[(4-bromo-1-hydroxy-3,3-dimethylcyclohexyl)methyl]-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

C20H32Br2O3 (478.0718)


   

[(e)-[2-(5-methoxy-1h-indol-3-yl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

[(e)-[2-(5-methoxy-1h-indol-3-yl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C17H22N2O10S2 (478.0716)


   

1-bromo-8a-(bromomethyl)-4,5-dihydroxy-8-isopropyl-4,10a-dimethyl-decahydrophenanthren-3-one

1-bromo-8a-(bromomethyl)-4,5-dihydroxy-8-isopropyl-4,10a-dimethyl-decahydrophenanthren-3-one

C20H32Br2O3 (478.0718)


   

{[2-(5-methoxy-1h-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid

{[2-(5-methoxy-1h-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid

C17H22N2O10S2 (478.0716)


   

[(z)-[2-(1-methoxyindol-3-yl)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

[(z)-[2-(1-methoxyindol-3-yl)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C17H22N2O10S2 (478.0716)


   

(1s,4s,4as,4bs,5s,8s,8as,10as)-1-bromo-8a-(bromomethyl)-4,5-dihydroxy-8-isopropyl-4,10a-dimethyl-decahydrophenanthren-3-one

(1s,4s,4as,4bs,5s,8s,8as,10as)-1-bromo-8a-(bromomethyl)-4,5-dihydroxy-8-isopropyl-4,10a-dimethyl-decahydrophenanthren-3-one

C20H32Br2O3 (478.0718)


   

(1s,4s,5s,6r,9s,10r)-9-bromo-4-{[(1s,4s)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

(1s,4s,5s,6r,9s,10r)-9-bromo-4-{[(1s,4s)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

C20H32Br2O3 (478.0718)


   

{[2-(4-methoxy-1h-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid

{[2-(4-methoxy-1h-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid

C17H22N2O10S2 (478.0716)


   

(1s,4s,5s,6r,9s)-9-bromo-4-{[(1s,4s)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

(1s,4s,5s,6r,9s)-9-bromo-4-{[(1s,4s)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

C20H32Br2O3 (478.0718)


   

1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,6,7,8,9,10-octahydro-1h-phenanthrene-3,4,6-triol

1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,6,7,8,9,10-octahydro-1h-phenanthrene-3,4,6-triol

C20H32Br2O3 (478.0718)


   

[(z)-[2-(1-methoxyindol-3-yl)-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

[(z)-[2-(1-methoxyindol-3-yl)-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C17H22N2O10S2 (478.0716)


   

(1s,4s,5s,6r,9s,10s)-9-bromo-4-{[(1s,4s)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

(1s,4s,5s,6r,9s,10s)-9-bromo-4-{[(1s,4s)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-10-ol

C20H32Br2O3 (478.0718)


   

(1s,3s,4s,4as,4bs,5s,8r,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,4b,5,8,9,10-octahydro-1h-phenanthrene-3,4,5-triol

(1s,3s,4s,4as,4bs,5s,8r,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,4b,5,8,9,10-octahydro-1h-phenanthrene-3,4,5-triol

C20H32Br2O3 (478.0718)


   

[(z)-[2-(4-methoxy-1h-indol-3-yl)-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

[(z)-[2-(4-methoxy-1h-indol-3-yl)-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C17H22N2O10S2 (478.0716)


   

{[2-(1-methoxyindol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid

{[2-(1-methoxyindol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid

C17H22N2O10S2 (478.0716)