Exact Mass: 330.0983018

Exact Mass Matches: 330.0983018

Found 139 metabolites which its exact mass value is equals to given mass value 330.0983018, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Vanilloyl glucose

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3-methoxybenzoate

C14H18O9 (330.0950778)


Vanilloyl glucose 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. Vanilloyl glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). Vanilloyl glucose can be found in a number of food items such as orange bell pepper, yellow bell pepper, pepper (c. annuum), and red bell pepper, which makes vanilloyl glucose a potential biomarker for the consumption of these food products.

   

3'-Glucosyl-2',4',6'-trihydroxyacetophenone

1-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}ethan-1-one

C14H18O9 (330.0950778)


3-Glucosyl-2,4,6-trihydroxyacetophenone is found in herbs and spices. 3-Glucosyl-2,4,6-trihydroxyacetophenone is a constituent of the leaves of Syzygium aromaticum (clove). Constituent of the leaves of Syzygium aromaticum (clove). 3-Glucosylphloroacetophenone is found in herbs and spices.

   

Hydroxytyrosol 3'-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid

C14H18O9 (330.0950778)


   

Hydroxytyrosol 4'-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid

C14H18O9 (330.0950778)


   

1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine

8-[2-(3-chlorophenyl)ethenyl]-1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione

C16H15ClN4O2 (330.088348)


   

4-(Dipropylsulfamoyl)-2-nitrobenzoic acid

4-(Dipropylsulphamoyl)-2-nitrobenzoic acid

C13H18N2O6S (330.0885528)


   

8-(3-Chlorostyryl)caffeine

8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C16H15ClN4O2 (330.088348)


   

Rhodamine 110

2-(6-amino-3-imino-3H-xanthen-9-yl)benzoic acid

C20H14N2O3 (330.10043740000003)


   

Vanillic acid 4-beta-D-glucoside

3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C14H18O9 (330.0950778)


Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-beta-D-glucoside, 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. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products. Vanillic acid 4-beta-d-glucoside, also known as vanillate 4-β-D-glucoside, 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. Vanillic acid 4-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Vanillic acid 4-beta-d-glucoside can be found in a number of food items such as sweet marjoram, orange bell pepper, yellow bell pepper, and pepper (c. annuum), which makes vanillic acid 4-beta-d-glucoside a potential biomarker for the consumption of these food products.

   

Orsellinic acid 2-O-beta-D-glucoside

4-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C14H18O9 (330.0950778)


Orsellinic acid 2-o-beta-d-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Orsellinic acid 2-o-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Orsellinic acid 2-o-beta-d-glucoside can be found in cloves, which makes orsellinic acid 2-o-beta-d-glucoside a potential biomarker for the consumption of this food product.

   

Phenylacetic acid + 2O, O-Hex

Phenylacetic acid + 2O, O-Hex

C14H18O9 (330.0950778)


Annotation level-3

   

3-Methoxy-4-hydroxybenzoic acid O-hexoside

3-Methoxy-4-hydroxybenzoic acid O-hexoside

C14H18O9 (330.0950778)


   

2,5-Dimethoxy-1H-naphtho[2,1,8-mna]xanthen-1-one

2,5-Dimethoxy-1H-naphtho[2,1,8-mna]xanthen-1-one

C21H14O4 (330.0892044)


   

TGSH

4,4-Sulfonylbis[2-(prop-2-en-1-yl)phenol]

C18H18O4S (330.0925748)


CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4153; ORIGINAL_PRECURSOR_SCAN_NO 4149 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4136; ORIGINAL_PRECURSOR_SCAN_NO 4135 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4138 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4162; ORIGINAL_PRECURSOR_SCAN_NO 4158 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8854; ORIGINAL_PRECURSOR_SCAN_NO 8852 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8857; ORIGINAL_PRECURSOR_SCAN_NO 8855 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8874; ORIGINAL_PRECURSOR_SCAN_NO 8873 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8918 CONFIDENCE standard compound; INTERNAL_ID 172; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8885

   

7-(diethylamino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione

7-(diethylamino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione

C16H18N4S2 (330.0972828)


   
   

2-Hydroxy-3-methoxybenzoic acid glucose ester

2-Hydroxy-3-methoxybenzoic acid glucose ester

C14H18O9 (330.0950778)


   
   

4-Hydroxy-5-oxo-5,7,8,13-tetrahydrobenz[g]indolo[2,3-a]quinolizine-1-carbaldehyde

4-Hydroxy-5-oxo-5,7,8,13-tetrahydrobenz[g]indolo[2,3-a]quinolizine-1-carbaldehyde

C20H14N2O3 (330.10043740000003)


   
   

maltol-(6-O-acetyl)-beta-D-glucopyranoside|Maltol-(6-O-acetyl)-??-D-glucopyranoside

maltol-(6-O-acetyl)-beta-D-glucopyranoside|Maltol-(6-O-acetyl)-??-D-glucopyranoside

C14H18O9 (330.0950778)


   

2-Benzylxanthopurpurin

2-Benzylxanthopurpurin

C21H14O4 (330.0892044)


   

3,4-dihydroxybenzoic acid 4-O-(4-O-methyl)-beta-D-glucopyranoside

3,4-dihydroxybenzoic acid 4-O-(4-O-methyl)-beta-D-glucopyranoside

C14H18O9 (330.0950778)


   

2-formyl-4,4-dihydroxy-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin K

2-formyl-4,4-dihydroxy-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin K

C21H14O4 (330.0892044)


   

3-(beta-D-glucopyranosyloxy)-4-methoxybenzoic acid|3-hydroxy-4-methoxybenzoic acid 3-O-beta-D-glucopyranoside

3-(beta-D-glucopyranosyloxy)-4-methoxybenzoic acid|3-hydroxy-4-methoxybenzoic acid 3-O-beta-D-glucopyranoside

C14H18O9 (330.0950778)


   
   
   

syringic acid-4-O-beta-L-arabinopyranoside

syringic acid-4-O-beta-L-arabinopyranoside

C14H18O9 (330.0950778)


   

methyl 4-(beta-D-glucopyranosyloxy)-3-hydroxybenzoate

methyl 4-(beta-D-glucopyranosyloxy)-3-hydroxybenzoate

C14H18O9 (330.0950778)


   
   

2,4,6-trihydroxy-3-methylbenzaldehyde 2-O-beta-D-glucopyranoside|eucalmainoside C|eucalmanioside C

2,4,6-trihydroxy-3-methylbenzaldehyde 2-O-beta-D-glucopyranoside|eucalmainoside C|eucalmanioside C

C14H18O9 (330.0950778)


   

Phloracetophenone 4-O-glucoside

Phloracetophenone 4-O-glucoside

C14H18O9 (330.0950778)


   

orsellinic-2-O-beta-D-glucopyranoside

orsellinic-2-O-beta-D-glucopyranoside

C14H18O9 (330.0950778)


   

3-(EC-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester

3-(EC-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester

C14H18O9 (330.0950778)


   

1-(3-O-beta-D-glucopyranosyl-4,5-dihydroxyphenyl)-ethanone|1-(3-O-??-D-Glucopyranosyl-4,5-dihydroxyphenyl)-ethanone

1-(3-O-beta-D-glucopyranosyl-4,5-dihydroxyphenyl)-ethanone|1-(3-O-??-D-Glucopyranosyl-4,5-dihydroxyphenyl)-ethanone

C14H18O9 (330.0950778)


   

Phaseoloidin

2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid

C14H18O9 (330.0950778)


Phaseoloidin is a natural product found in Entada pursaetha, Entada rheedei, and Entada phaseoloides with data available. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2]. Phaseoloidin is a homogentisic acid glucoside from Nicotiana attenuata trichomes and contributes to the plant's resistance against lepidopteran herbivores. Phaseoloidin reduces larval growth of the specialist larvae Manduca sexta and the generalist larvae Spodoptera littoralis[1]. Phaseoloidin has anti-complement activitie[2].

   

Myrciaphenone A

1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

C14H18O9 (330.0950778)


Myrciaphenone A is a natural product found in Curcuma comosa, Leontodon tuberosus, and Myrcia multiflora with data available.

   

C14H18O9_Ethanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]

NCGC00169534-02_C14H18O9_Ethanone, 1-[4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-

C14H18O9 (330.0950778)


   

C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid

NCGC00385868-01_C14H18O9_4-(Hexopyranosyloxy)-3-methoxybenzoic acid

C14H18O9 (330.0950778)


   

Benzoic acid + 1O, 1MeO, O-Hex

Benzoic acid + 1O, 1MeO, O-Hex

C14H18O9 (330.0950778)


Annotation level-3

   

2-((1-Methylpropyl)amino)ethanol

1-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}ethan-1-one

C14H18O9 (330.0950778)


   

2-(2-Chlorophenyl)-4,5-diphenylimidazole

2-(2-Chlorophenyl)-4,5-diphenylimidazole

C21H15ClN2 (330.09237)


   

3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one

3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one

C17H18N2O3S (330.1038078)


   

Phenyl Tris(Dimethylsiloxy)Silane

Phenyl Tris(Dimethylsiloxy)Silane

C12H26O3Si4 (330.0958966)


   

3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid

3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid

C14H16F6O2 (330.1054428)


   

1-Boc-4-(3,4-dichlorophenyl)piperazine

1-Boc-4-(3,4-dichlorophenyl)piperazine

C15H20Cl2N2O2 (330.090176)


   

4-bromo-4-n-heptylbiphenyl

4-bromo-4-n-heptylbiphenyl

C19H23Br (330.0983018)


   

3,6-diaminospiro[2-benzofuran-3,9-xanthene]-1-one

3,6-diaminospiro[2-benzofuran-3,9-xanthene]-1-one

C20H14N2O3 (330.10043740000003)


   

2-[(4-PHENOXYPHENYL)AMINO]-4H-1-BENZOXAZIN-4-ONE

2-[(4-PHENOXYPHENYL)AMINO]-4H-1-BENZOXAZIN-4-ONE

C20H14N2O3 (330.10043740000003)


   

2-(3,5-DICHLORO-4-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

2-(3,5-DICHLORO-4-ISOPROPOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

C15H21BCl2O3 (330.09607260000007)


   

1-BOC-3-(3,4-DICHLOROPHENYL)PIPERAZINE

1-BOC-3-(3,4-DICHLOROPHENYL)PIPERAZINE

C15H20Cl2N2O2 (330.090176)


   

1,4-Piperazinedipropanesulfonic acid

1,4-Piperazinedipropanesulfonic acid

C10H22N2O6S2 (330.0919232)


   

Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Methyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

C17H18N2O3S (330.1038078)


   

ETHYL 5-METHYL-8-NITRO-6-OXO-5,6-DIHYDRO-4H-BENZO[F]IMIDAZO[1,5-A][1,4]DIAZEPINE-3-CARBOXYLATE

ETHYL 5-METHYL-8-NITRO-6-OXO-5,6-DIHYDRO-4H-BENZO[F]IMIDAZO[1,5-A][1,4]DIAZEPINE-3-CARBOXYLATE

C15H14N4O5 (330.0964154)


   

(2-naphthalen-1-yl-5-nitroquinolin-6-yl)methanol

(2-naphthalen-1-yl-5-nitroquinolin-6-yl)methanol

C20H14N2O3 (330.10043740000003)


   

2,2,2-TRICHLOROETHYL LAURATE

2,2,2-TRICHLOROETHYL LAURATE

C14H25Cl3O2 (330.092004)


   
   

1-Boc-3-(2,3-dichlorophenyl)piperazine

1-Boc-3-(2,3-dichlorophenyl)piperazine

C15H20Cl2N2O2 (330.090176)


   
   

3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester

3-(β-D-Glucopyranosyloxy)-2-hydroxybenzoic acid methyl ester

C14H18O9 (330.0950778)


   

5-HydroxyMethyl-2,3-O-isopropylidene-2-thiouridine

5-HydroxyMethyl-2,3-O-isopropylidene-2-thiouridine

C13H18N2O6S (330.0885528)


   

2-Bromo-3-dodecylthiophene

2-Bromo-3-dodecylthiophene

C16H27BrS (330.1016722)


   

1-Prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonyl-benzene

1-Prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonyl-benzene

C18H18O4S (330.0925748)


   

Tasipimidine sulfate

Tasipimidine sulfate

C13H18N2O6S (330.0885528)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Tasipimidine sulfate is an orally active and selective α2A-adrenoceptor agonist with a pEC50 of 7.57 against human α2A-adrenoceptor. Tasipimidine sulfate can be used for situational anxiety and fear research[1].

   

Methyl 2-(1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate

Methyl 2-(1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate

C13H18N2O8 (330.1063108)


5-Methoxycarbonylmethyl-2'-O-methyluridine is a thymidine analogue. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].

   

8-(3-Chlorostyryl)caffeine

8-(3-Chlorostyryl)caffeine

C16H15ClN4O2 (330.088348)


Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.

   

Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt

Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt

C20H14N2O3 (330.10043740000003)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines

   

4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid

4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid

C14H18O9 (330.0950778)


A natural product found in Carthamus oxyacantha.

   
   

But-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate

But-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate

C17H18N2O3S (330.1038078)


   
   

N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H18N2O3S (330.1038078)


   

3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid

3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid

C20H14N2O3 (330.10043740000003)


   

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester

C14H14N6O4 (330.1076484)


   

N-(2-methyl-1,3-dioxo-5-isoindolyl)-1-naphthalenecarboxamide

N-(2-methyl-1,3-dioxo-5-isoindolyl)-1-naphthalenecarboxamide

C20H14N2O3 (330.10043740000003)


   

5-methoxy-N-methyl-2-[2-(methylcarbamoyl)phenyl]sulanylbenzamide

5-methoxy-N-methyl-2-[2-(methylcarbamoyl)phenyl]sulanylbenzamide

C17H18N2O3S (330.1038078)


   

2-(Butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate

2-(Butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate

C11H23O9P (330.10796380000005)


   

3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid

3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid

C14H18O9 (330.0950778)


   

(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxypropanoate

(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxypropanoate

C13H18N2O8-2 (330.1063108)


   

8-(3-Chlorostyryl)caf-feine

8-(3-Chlorostyryl)caf-feine

C16H15ClN4O2 (330.088348)


   

Orsellinic acid 2-O-beta-D-glucoside

Orsellinic acid 2-O-beta-D-glucoside

C14H18O9 (330.0950778)


   

N-(2-hydroxybenzylidene)-2-[(4-methoxybenzyl)thio]acetohydrazide

N-(2-hydroxybenzylidene)-2-[(4-methoxybenzyl)thio]acetohydrazide

C17H18N2O3S (330.1038078)


   

2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile

2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile

C18H12N5O2+ (330.09909519999997)


   

N-(1-naphthalenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

N-(1-naphthalenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide

C20H14N2O3 (330.10043740000003)


   

[(1S,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

[(1S,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

C17H18N2O3S (330.1038078)


   

[(1R,2aR,8bR)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

[(1R,2aR,8bR)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

C17H18N2O3S (330.1038078)


   

[(1R,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

[(1R,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol

C17H18N2O3S (330.1038078)


   

2-Hydroxy-7,8-dihydropteroic acid

2-Hydroxy-7,8-dihydropteroic acid

C14H14N6O4 (330.1076484)


A member of the class of pteroic acids that is 7,8-dihydropteroic acid carrying a phenolic hydroxy substituent at the position ortho to the carboxylic acid function.

   

6-(5-Ethyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(5-Ethyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H18O9 (330.0950778)


   

6-(4-Ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(4-Ethyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H18O9 (330.0950778)


   

[5-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-hydroxyphenyl] hydrogen sulfate

[5-[(E)-3-(4-aminobutylamino)-3-oxoprop-1-enyl]-2-hydroxyphenyl] hydrogen sulfate

C13H18N2O6S (330.0885528)


   

[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate

[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate

C11H23O9P (330.10796380000005)


   

Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose

Tetra-O-acetyl-3-deoxy-alpha-D-erythro-hex-2-enopyranose

C14H18O9 (330.0950778)


   

1-O-vanilloyl-beta-D-glucose

1-O-vanilloyl-beta-D-glucose

C14H18O9 (330.0950778)


   

3-Glucosyl-2,4,6-trihydroxyacetophenone

3-Glucosyl-2,4,6-trihydroxyacetophenone

C14H18O9 (330.0950778)


   

Hydroxytyrosol 3-glucuronide

Hydroxytyrosol 3-glucuronide

C14H18O9 (330.0950778)


   

Hydroxytyrosol 4-glucuronide

Hydroxytyrosol 4-glucuronide

C14H18O9 (330.0950778)


   

O-Vanilloyl-glucose

O-Vanilloyl-glucose

C14H18O9 (330.0950778)


   

(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxy-2-(hydroxymethyl)benzoate

(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxy-2-(hydroxymethyl)benzoate

C14H18O9 (330.0950778)


   

methyl 2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

methyl 2-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

C14H18O9 (330.0950778)


   

{3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl}methyl acetate

{3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl}methyl acetate

C14H18O9 (330.0950778)


   

1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

1-(3-o-β-d-glucopyranosyl-4,5-dihydroxy-phenyl)-ethanone

NA

C14H18O9 (330.0950778)


{"Ingredient_id": "HBIN001273","Ingredient_name": "1-(3-o-\u03b2-d-glucopyranosyl-4,5-dihydroxy-phenyl)-ethanone","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "CC(=O)C1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15615","TCMID_id": "8621","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1-O-vanilloyl-β-D-glucoside

NA

C14H18O9 (330.0950778)


{"Ingredient_id": "HBIN002936","Ingredient_name": "1-O-vanilloyl-\u03b2-D-glucoside","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38962","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3,4-dihydroxybenzoic acid; 3-o-beta-d-glucopyranoside,me ester

NA

C14H18O9 (330.0950778)


{"Ingredient_id": "HBIN007392","Ingredient_name": "3,4-dihydroxybenzoic acid; 3-o-beta-d-glucopyranoside,me ester","Alias": "NA","Ingredient_formula": "C14H18O9","Ingredient_Smile": "NA","Ingredient_weight": "330.29","OB_score": "NA","CAS_id": "155112-92-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8283","PubChem_id": "NA","DrugBank_id": "NA"}

   

(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid

(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid

C14H18O9 (330.0950778)


   

(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid

(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid

C14H18O9 (330.0950778)


   

methyl 3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

methyl 3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

C14H18O9 (330.0950778)


   

(2r)-3-{[(2e)-4-[(5z)-cyclopenta[b]pyridin-5-ylidene]but-2-en-2-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

(2r)-3-{[(2e)-4-[(5z)-cyclopenta[b]pyridin-5-ylidene]but-2-en-2-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

C17H18N2O3S (330.1038078)


   

1-(2,4-dihydroxy-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2,4-dihydroxy-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

(2r)-3-{[(2e)-4-[(5e)-cyclopenta[b]pyridin-5-ylidene]but-2-en-2-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

(2r)-3-{[(2e)-4-[(5e)-cyclopenta[b]pyridin-5-ylidene]but-2-en-2-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

C17H18N2O3S (330.1038078)


   

methyl 4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

methyl 4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

C14H18O9 (330.0950778)


   

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3-methoxybenzoate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3-methoxybenzoate

C14H18O9 (330.0950778)


   

3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C14H18O9 (330.0950778)


   

1-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

4,4'-dihydroxy-3-[2-(4-hydroxyphenyl)ethynyl]-[1,1'-biphenyl]-2-carbaldehyde

4,4'-dihydroxy-3-[2-(4-hydroxyphenyl)ethynyl]-[1,1'-biphenyl]-2-carbaldehyde

C21H14O4 (330.0892044)


   

1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2,6-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

1-(2,6-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2,6-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

1-{2,4,6-trihydroxy-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}ethanone

1-{2,4,6-trihydroxy-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}ethanone

C14H18O9 (330.0950778)


   

4-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)benzoic acid

4-hydroxy-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)benzoic acid

C14H18O9 (330.0950778)


   

methyl 2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

methyl 2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

C14H18O9 (330.0950778)


   

4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-hydroxybenzoic acid

4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-hydroxybenzoic acid

C14H18O9 (330.0950778)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methyl acetate

C14H18O9 (330.0950778)


   

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-3-methoxybenzoate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-3-methoxybenzoate

C14H18O9 (330.0950778)


   

[(2r,3s,4s,5r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

[(2r,3s,4s,5r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate

C14H18O9 (330.0950778)


   

3-methoxy-4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

3-methoxy-4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid

C14H18O9 (330.0950778)


   

2-benzyl-1,3-dihydroxyanthracene-9,10-dione

2-benzyl-1,3-dihydroxyanthracene-9,10-dione

C21H14O4 (330.0892044)


   

1-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(3,4-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-(hydroxymethyl)benzoate

[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-(hydroxymethyl)benzoate

C14H18O9 (330.0950778)


   

(3r,4s,5r,6r)-3,4,5,6,7-pentahydroxy-1-(4-hydroxy-3-methoxyphenyl)heptane-1,2-dione

(3r,4s,5r,6r)-3,4,5,6,7-pentahydroxy-1-(4-hydroxy-3-methoxyphenyl)heptane-1,2-dione

C14H18O9 (330.0950778)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-3-methoxybenzoate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-3-methoxybenzoate

C14H18O9 (330.0950778)


   

1-(2,4-dihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2,4-dihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

1-(2,4-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

1-(2,4-dihydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone

C14H18O9 (330.0950778)


   

methyl 4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

methyl 4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

C14H18O9 (330.0950778)


   

19-ethenyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15(20),18-heptaene-14,16-dione

19-ethenyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15(20),18-heptaene-14,16-dione

C20H14N2O3 (330.10043740000003)


   

4-hydroxy-2-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)benzoic acid

4-hydroxy-2-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)benzoic acid

C14H18O9 (330.0950778)


   

methyl 3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

methyl 3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

C14H18O9 (330.0950778)