Exact Mass: 595.1451592000001
Exact Mass Matches: 595.1451592000001
Found 89 metabolites which its exact mass value is equals to given mass value 595.1451592000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pelargonidin 3,5-di-O-glucoside
Pelargonin is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonin can be found in a number of food items such as green bean, grass pea, pomegranate, and yellow wax bean, which makes pelargonin a potential biomarker for the consumption of these food products. Pelargonin is an anthocyanin. It is the 3,5-O-diglucoside of pelargonidin . Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBB01_Pelargonin_pos_50eV.txt [Raw Data] CBB01_Pelargonin_pos_40eV.txt [Raw Data] CBB01_Pelargonin_pos_20eV.txt [Raw Data] CBB01_Pelargonin_pos_10eV.txt [Raw Data] CBB01_Pelargonin_pos_30eV.txt
Cyanidin 3-rutinoside
Cyanidin 3-rutinoside is found in asparagus. Antirrhinin is an anthocyanin. It is the 3-rutinoside of cyanidin. It can be found in blackcurrant Antirrhinin is an anthocyanin. It is the 3-rutinoside of cyanidin. It can be found in blackcurrant. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA67_Keracyanine_pos_30eV.txt [Raw Data] CBA67_Keracyanine_pos_40eV.txt [Raw Data] CBA67_Keracyanine_pos_50eV.txt [Raw Data] CBA67_Keracyanine_pos_10eV.txt [Raw Data] CBA67_Keracyanine_neg_40eV.txt [Raw Data] CBA67_Keracyanine_neg_20eV.txt [Raw Data] CBA67_Keracyanine_neg_10eV.txt [Raw Data] CBA67_Keracyanine_neg_30eV.txt [Raw Data] CBA67_Keracyanine_neg_50eV.txt [Raw Data] CBA67_Keracyanine_pos_20eV.txt
3,7-Bis(beta-D-glucopyranosyloxy)-4,5-dihydroxyflavylium
Pelargonin
Pelargonin is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonin can be found in a number of food items such as green bean, grass pea, pomegranate, and yellow wax bean, which makes pelargonin a potential biomarker for the consumption of these food products. Pelargonin is an anthocyanin. It is the 3,5-O-diglucoside of pelargonidin . Pelargonin, also known as pelargonin chloride (CAS: 17334-58-6), belongs to the class of organic compounds known as anthocyanidin-5-O-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is a pigment found in barberries, the petals of the scarlet pelargonium flower pomegranates, and red wine. Pelargonin is found in common bean.
Hyacinthin
Isolated from Hyacinthus orientalis, Ribes grossularia (European gooseberry) and grapes [CCD]. Hyacinthin is found in many foods, some of which are highbush blueberry, summer grape, common grape, and fruits. Hyacinthin is found in black chokeberry. Hyacinthin is isolated from Hyacinthus orientalis, Ribes grossularia (European gooseberry) and grapes [CCD].
Cyanidin 3-rhamnoside 5-glucoside
Cyanidin 3-rhamnoside 5-glucoside is found in common pea. Cyanidin 3-rhamnoside 5-glucoside is isolated from Pisum sp. and Lathyrus odoratus [CCD]. Isolated from Pisum species and Lathyrus odoratus [CCD]. Cyanidin 3-rhamnoside 5-glucoside is found in common pea.
Peonidin 3-lathyroside
Peonidin 3-lathyroside is found in green vegetables. Peonidin 3-lathyroside is a constituent of leaf and stem cultures of Japanese asparagus (Aralia cordata). Constituent of leaf and stem cultures of Japanese asparagus (Aralia cordata). Peonidin 3-lathyroside is found in green vegetables.
3-Caffeoylpelargonidin 5-glucoside
C30H27O13+ (595.1451592000001)
3-Caffeoylpelargonidin 5-glucoside is found in root vegetables. 3-Caffeoylpelargonidin 5-glucoside is isolated from red radish (Raphanus sp.). Isolated from red radish (Raphanus species). 3-Caffeoylpelargonidin 5-glucoside is found in root vegetables.
Isopeonidin 3-sambubioside
Isopeonidin 3-sambubioside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Peonidin 3-sambubioside
Peonidin 3-sambubioside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate
C31H33NO7S2 (595.1698348000001)
Cyanidin 3-galactoside p-coumaric acid ester
C30H27O13+ (595.1451592000001)
Cyanidin 3-galactoside p-coumaric acid ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-galactoside p-coumaric acid ester can be found in corn, which makes cyanidin 3-galactoside p-coumaric acid ester a potential biomarker for the consumption of this food product.
Pelargonidin 3-(6-caffeylglucoside)
C30H27O13+ (595.1451592000001)
Pelargonidin 3-sophoroside
An anthocyanidin 3-O-sophoroside derived from pelargonidin
Peonidin 3-sambubioside
6-Hydroxypelargonidin 3-rutinoside
Peonidin 3-[2-(xylosyl)galactoside]
2-sinapoyloxy-3-butenylglucosinolate
C22H29NO14S2 (595.1029414000001)
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside
[C30H27O13]+ (595.1451592000001)
C27H33NO14_4,8-Dimethoxyfuro[2,3-b]quinolin-7-yl 2-O-acetyl-6-deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside
C27H33NO14 (595.1900958000001)
8-Hydroxy-perphenazine glucuronide
C27H34ClN3O8S (595.1755034000001)
7-Hydroxyperphenazine glucuronide
C27H34ClN3O8S (595.1755034000001)
Cyanidin 3-rhamnoside 5-glucoside
3-Caffeoylpelargonidin 5-glucoside
Obtusin
Isopeonidin 3-sambubioside
Ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate
C31H33NO7S2 (595.1698348000001)
SR9238 is a synthetic liver X receptor (LXR) inverse agonist with IC50s of 214 nM and 43 nM for LXRα and LXRβ, respectively.
[(5E)-5-sulfooxyimino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-1-en-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
C22H29NO14S2 (595.1029414000001)
Cyanidin 3-(6-p-coumaroylglucoside)
C30H27O13+ (595.1451592000001)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
C30H27O13+ (595.1451592000001)
[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
C30H27O13+ (595.1451592000001)
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside
[(E)-1-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-(4-hydroxyphenyl)prop-2-enylidene]oxidanium
C30H27O13+ (595.1451592000001)
3-Caffeoylpelargonidin 5-glucoside
C30H27O13+ (595.1451592000001)
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside
C30H27O13+ (595.1451592000001)
Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)
C30H27O13+ (595.1451592000001)
Pelargonin
An anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by beta-D-glucosyl residues.
Cyanidin 3-O-rutinoside
A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position.
cyanidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
An anthocyanin cation that is cyanidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,5r)-3,4,5-trihydroxy-6-({[(2s,4r,5s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate
C27H33NO14 (595.1900958000001)
3-{[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ⁴-chromen-1-ylium
5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
3-{[(2s,3r,4r,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ⁴-chromen-1-ylium
5-hydroxy-10-(2-hydroxy-5-{2-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-5h-pyrrol-3-yl}phenyl)-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium
(2s,3r,4r,5s,6s)-2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-5-hydroxy-6-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate
C27H33NO14 (595.1900958000001)