Exact Mass: 176.0559
Exact Mass Matches: 176.0559
Found 449 metabolites which its exact mass value is equals to given mass value 176.0559
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
4-Methylumbelliferone
Beta-methylumbelliferone appears as colorless crystals. Insoluble in water. (NTP, 1992) 4-methylumbelliferone is a hydroxycoumarin that is umbelliferone substituted by a methyl group at position 4. It has a role as an antineoplastic agent and a hyaluronic acid synthesis inhibitor. It is functionally related to an umbelliferone. Hymecromone is a natural product found in Ferula fukanensis, Dalbergia volubilis, and other organisms with data available. 4-methylumbelliferone is a metabolite found in or produced by Saccharomyces cerevisiae. A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID. 4-methylumbelliferone is a substrate for: Liver carboxylesterase 1, Cocaine esterase, and S-formylglutathione hydrolase. A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy A hydroxycoumarin that is umbelliferone substituted by a methyl group at position 4. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Acquisition and generation of the data is financially supported in part by CREST/JST. 4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects. 4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects.
Herniarin
Herniarin, also known as 7-methoxycoumarin or ayapanin, belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Herniarin is a sweet, balsamic, and tonka tasting compound. Herniarin has been detected, but not quantified, in several different foods, such as barley, tarragons, roman camomiles, fruits, and wild celeries. This could make herniarin a potential biomarker for the consumption of these foods. Herniarin is a member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. It has a role as a fluorochrome. 7-Methoxycoumarin is a natural product found in Haplopappus multifolius, Herniaria hirsuta, and other organisms with data available. See also: Chamomile (part of); Glycyrrhiza Glabra (part of). Present in Prunus mahaleb (mahaleb cherry). Herniarin is found in many foods, some of which are caraway, wild celery, barley, and fruits. A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect. Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect.
Pemoline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Allantoic acid
Allantoic acid is the end product of Allantoicase [EC:3.5.3.4], an enzyme involved in uric acid degradation (Purine metabolism). Although it is commonly accepted that allantoicase is lost in mammals, it has been identified in mice and humans. (PMID 11852104). A crystalline, transparent, colorless substance found in the allantoic liquid of the fetal calf. It was formerly called allantoic acid and amniotic acid. Isolated from coffee beans and leaves KEIO_ID A139 Allantoic acid is a degradative product of uric acid and associated with purine metabolism[1][2][3].
4-Hydroxyaminoquinoline N-oxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
10-Hydroxy-2,8-decadiene-4,6-diynoic acid
(E,E)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid is found in mushrooms. (E,E)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid is a constituent of Fistulina hepatica
7-Hydroxy-6-methyl-2H-1-benzopyran-2-one
7-Hydroxy-6-methyl-2H-1-benzopyran-2-one is found in herbs and spices. 7-Hydroxy-6-methyl-2H-1-benzopyran-2-one is a constituent of Trachyspermum roxburghianum (Bishops weed). Constituent of Trachyspermum roxburghianum (Bishops weed). 6-Methylumbelliferone is found in herbs and spices.
3-(3,4-Methylenedioxyphenyl)propenal
3-(3,4-Methylenedioxyphenyl)propenal is found in herbs and spices. 3-(3,4-Methylenedioxyphenyl)propenal is isolated from Sassafras albidum (sassafras). Isolated from Sassafras albidum (sassafras). 3-(3,4-Methylenedioxyphenyl)propenal is found in tea and herbs and spices.
1,4,5-Naphthalenetriol
1,4,5-Naphthalenetriol is found in nuts. 1,4,5-Naphthalenetriol occurs in green shells of unripe walnuts (Juglans sp.). Occurs in green shells of unripe walnuts (Juglans species). 1,4,5-Naphthalenetriol is found in nuts.
Methylthio 2-(propanoyloxy)propanoate
Methylthio 2-(propanoyloxy)propanoate is a flavouring ingredient. Flavouring ingredient
8-Methoxycoumarin
8-methoxycoumarin, also known as 8-methoxy chromen-2-one, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). 8-methoxycoumarin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 8-methoxycoumarin can be found in common wheat, which makes 8-methoxycoumarin a potential biomarker for the consumption of this food product. 8-methoxycoumarin is found in Herniaria glabra, Ayapana triplinervis and in species of the genus Prunus (P. mahaleb, P. pensylvanica, and P. maximowiczii) .
6-Hydroxy-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.663 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.664 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.659
Erythrocentaurin
Erythrocentaurin is a natural product found in Swertia decora, Gentiana pedicellata, and other organisms with data available.
Hymecromone
CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3335; ORIGINAL_PRECURSOR_SCAN_NO 3333 A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3322; ORIGINAL_PRECURSOR_SCAN_NO 3320 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3312; ORIGINAL_PRECURSOR_SCAN_NO 3309 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3317; ORIGINAL_PRECURSOR_SCAN_NO 3316 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3331; ORIGINAL_PRECURSOR_SCAN_NO 3329 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3329; ORIGINAL_PRECURSOR_SCAN_NO 3326 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7326; ORIGINAL_PRECURSOR_SCAN_NO 7323 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7324; ORIGINAL_PRECURSOR_SCAN_NO 7320 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7332; ORIGINAL_PRECURSOR_SCAN_NO 7328 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7358; ORIGINAL_PRECURSOR_SCAN_NO 7356 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7358; ORIGINAL_PRECURSOR_SCAN_NO 7355 CONFIDENCE standard compound; INTERNAL_ID 967; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7342; ORIGINAL_PRECURSOR_SCAN_NO 7340 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3396; ORIGINAL_PRECURSOR_SCAN_NO 3391 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3389; ORIGINAL_PRECURSOR_SCAN_NO 3387 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3360; ORIGINAL_PRECURSOR_SCAN_NO 3358 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3383; ORIGINAL_PRECURSOR_SCAN_NO 3380 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3365; ORIGINAL_PRECURSOR_SCAN_NO 3363 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3363; ORIGINAL_PRECURSOR_SCAN_NO 3361 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7291; ORIGINAL_PRECURSOR_SCAN_NO 7286 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7335; ORIGINAL_PRECURSOR_SCAN_NO 7331 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7307; ORIGINAL_PRECURSOR_SCAN_NO 7303 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7337; ORIGINAL_PRECURSOR_SCAN_NO 7335 CONFIDENCE standard compound; INTERNAL_ID 207; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7336; ORIGINAL_PRECURSOR_SCAN_NO 7332 CONFIDENCE standard compound; INTERNAL_ID 4193 4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects. 4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects.
4-Methylumbelliferone
4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects. 4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects.
Allantoic acid
A member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. Allantoic acid is a degradative product of uric acid and associated with purine metabolism[1][2][3].
pemoline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, Methyl ester
4-(5-methyl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one
(2-Fluoro-4-methyl-phenyl)-hydrazine hydrochloride
5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
Thieno[3,4-b]pyrazine, octahydro-, 6,6-dioxide (9CI)
(3-TRIMETHYLSILYL-2-PROPYNYL)TRIPHENYLPHOSPHONIUMBROMIDE
5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLICACID
4H-Pyrido[1,2-a]pyrimidin-4-one,2-hydroxy-9-methyl-
4-Methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
4-FLUORO-3-METHYLBENZENE-1,2-DIAMINE HYDROCHLORIDE
(3-TRIFLUOROMETHYLPHENYL)-CARBAMICACIDTERT-BUTYLESTER
5-methoxy-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde
2-amino-1-(5-amino-1H-imidazol-4-yl)ethanone dihydrochloride
4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-methyl-
4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methoxy-
5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
6-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
1H-Benzimidazole-1-carboxylicacid,methylester(9CI)
1-METHYL-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-Methyl-
1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
8-Carboxylic-3-H-1,4-benzodiazepin-2,5-(1H,4H)-dione
7-Methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
IMidazo[1,2-a]pyridine-3-carboxylicacid,Methylester
1-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
3-fluoro-N,N-dimethylpyridin-2-amine hydrochloride
1H-Benzimidazole-4-carboxylic acid,7-methyl- (9CI)
(E)-5-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PENT-2-EN-1-OL
6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
5-Methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
LM-94
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects. 4-Methylumbelliferone is a hyaluronic acid biosynthesis inhibitor with antitumoral and antimetastatic effects.
(Z)-9-hydroxybenzo[c]oxepin-3(1H)-one
A natural product found in Pestalotiopsis virgatula and Xylaria polymorpha.
4-Hydroxyaminoquinoline-1-oxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
3-(chloroethyl)-5,5-dimethyldihydro-2(3H)-furanone
Pemolina [Italian]
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
6-hydroxy-7-nethylesculetin
{"Ingredient_id": "HBIN012415","Ingredient_name": "6-hydroxy-7-nethylesculetin","Alias": "NA","Ingredient_formula": "C10H8O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31234","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}