NCBI Taxonomy: 226051

Lobularia maritima (ncbi_taxid: 226051)

found 45 associated metabolites at species taxonomy rank level.

Ancestor: Lobularia

Child Taxonomies: none taxonomy data.

Allyl isothiocyanate

Allyl isothiocyanate non-perfume grade

C4H5NS (99.014269)


Allyl isothiocyanate is a volatile organic compound. Allyl isothiocyanate (AITC) is a constituent of mustard, horseradish and wasabi and certain vegetables found in the human diet, mostly in cruciferous vegetables. AITC is a colorless to pale yellow liquid that is slightly soluble in water, but soluble in most organic solvents. AITC possesses numerous biochemical and physiological activities. It is cytotoxic and tumorigenic at high doses and is also a modulator of enzymes involved in metabolism of xenobiotics, including carcinogens. It is plausible that the wide consumption of dietary AITC may have profound effects on human health. oxidative DNA damage may play important roles in carcinogenic processes induced by AITC. Allergic contact dermatitis from AICT is well known but infrequently reported. AITC is occasionally found as a volatile component of normal human biofluids. (PMID:5556886, 8222057, 8000299, 10754276, 15373848). Chief constituent of natural mustard oiland is also found in cooked cabbage, horseradish, etc. Flavouring ingredient. Potential nutriceutical D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives

   

Benzeneacetonitrile

laquo omegaraquo -Cyanotoluene

C8H7N (117.0578462)


Isolated from oil of garden cress (Lepidium sativum) and other plant oils. Benzeneacetonitrile is found in many foods, some of which are peppermint, garden tomato (variety), papaya, and kohlrabi. Benzeneacetonitrile is found in garden cress. Benzeneacetonitrile is isolated from oil of garden cress (Lepidium sativum) and other plant oils.

   

Kaempferol 3-(2'-rhamnosylgalactoside) 7-rhamnoside

3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

C33H40O19 (740.216369)


Kaempferol 3-(2-rhamnosylgalactoside) 7-rhamnoside is found in broad bean. Kaempferol 3-(2-rhamnosylgalactoside) 7-rhamnoside is isolated from Vicia faba. Isolated from Vicia faba. Kaempferol 3-(2-rhamnosylgalactoside) 7-rhamnoside is found in pulses and broad bean.

   

Kaempferol 3-sophoroside 7-rhamnoside

3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

C33H40O20 (756.211284)


Kaempferol 3-sophoroside 7-rhamnoside is found in alcoholic beverages. Kaempferol 3-sophoroside 7-rhamnoside is isolated from Solanum tuberosum (potato). Isolated from Solanum tuberosum (potato). Kaempferol 3-sophoroside 7-rhamnoside is found in alcoholic beverages and potato.

   

4-Isothiocyanato-1-butene

Isothiocyanic acid, 3-butenyl ester

C5H7NS (113.0299182)


Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. Formed from 3-Butenyl glycosinolate LBB62-U. 4-Isothiocyanato-1-butene is found in many foods, some of which are white cabbage, horseradish, brassicas, and cabbage. 4-Isothiocyanato-1-butene is found in brassicas. Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. 4-Isothiocyanato-1-butene is formed from 3-Butenyl glycosinolate LBB62-U.

   

Kaempferol 3-O-(2'-rhamnosyl-galactoside) 7-O-rhamnoside

3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one

C33H40O19 (740.216369)


Kaempferol 3-o-(2-rhamnosyl-galactoside) 7-o-rhamnoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Kaempferol 3-o-(2-rhamnosyl-galactoside) 7-o-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-(2-rhamnosyl-galactoside) 7-o-rhamnoside can be found in broad bean, which makes kaempferol 3-o-(2-rhamnosyl-galactoside) 7-o-rhamnoside a potential biomarker for the consumption of this food product.

   

Kaempferol 3-sophoroside 7-rhamnoside

3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2

C33H40O20 (756.211284)


Kaempferol 3-sophoroside 7-rhamnoside is a natural product found in Lobularia maritima and Styphnolobium japonicum with data available.

   

Dillenetin 5-glucoside-7-glucuronide

5- (beta-D-Glucopyranosyloxy) -7- (beta-D-glucopyranuronosyloxy) -3-hydroxy-3,4-dimethoxyflavone

C29H32O18 (668.1588572)


   

Benzyl cyanide

Benzeneacetonitrile

C8H7N (117.0578462)


A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.

   

Crotyl mustard oil

Isothiocyanic acid, 3-butenyl ester

C5H7NS (113.0299182)


   

Kaempferol 3-(2-rhamnosylgalactoside) 7-rhamnoside

3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one

C33H40O19 (740.216369)


   

3386-97-8

but-3-enylimino-thioxo-methane

C5H7NS (113.0299182)


   

c0647

Phenylacetonitrile, liquid [UN2470] [Poison]

C8H7N (117.0578462)


   

Redskin

Allyl isothiocyanate, stabilized [UN1545] [Poison]

C4H5NS (99.014269)


D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives

   

kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl]-7-O-alpha-L-rhamnopyranoside

kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl]-7-O-alpha-L-rhamnopyranoside

C33H40O19 (740.216369)


A kaempferol O-glucoside that is kaempferol attached to a alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl residue at position 3 and a alpha-L-rhamnopyranosyl residue at position 7. Isolated from the aerial parts of Vicia faba and Lotus edulis, it exhibits inhibitory activity against topoisomerase I.

   

Mustardseed Oil

ALLYL ISOTHIOCYANATE

C4H5NS (99.014269)


An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives

   

3-Butenyl isothiocyanate

3-buten-1-yl isothiocyanate

C5H7NS (113.0299182)


   

3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C33H40O20 (756.211284)


   

3-{[(2s,3s,4r,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

3-{[(2s,3s,4r,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C26H28O15 (580.1428138)


   

3-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

3-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C33H40O20 (756.211284)


   

3-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

3-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C26H28O15 (580.1428138)


   

3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C26H28O14 (564.1478988)


   

3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C33H40O19 (740.216369)