Exact Mass: 222.0672

Exact Mass Matches: 222.0672

Found 104 metabolites which its exact mass value is equals to given mass value 222.0672, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Flavone

InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10

C15H10O2 (222.0681)


Flavone is the simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. It has a role as a metabolite and a nematicide. Flavone is a natural product found in Grindelia hirsutula, Asphodeline damascena, and other organisms with data available. Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.

   

Isoflavone

3-phenyl-4H-1-benzopyran-4-one

C15H10O2 (222.0681)


Isoflavones are a class of phytochemicals related to the isoflavonoids. Isoflavones are produced almost exclusively by the members of the Fabaceae (i.e., Leguminosae, or bean) family. Soy isoflavones consumption has been related to a lower incidence of breast cancer and other common cancers. [Wikipedia]. Isoflavones is found in soy bean. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].

   

Acetamiprid

Pesticide4_Acetamiprid_C10H11ClN4_(1E)-N-[(6-chloropyridin-3-yl)methyl]-N-cyano-N-methylethanimidamide

C10H11ClN4 (222.0672)


D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 2327 CONFIDENCE standard compound; INTERNAL_ID 8448 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2986 Acetamiprid is a neonicotinoid insecticide used worldwide. Acetamiprid is a nicotinic acetylcholine receptor (nAChR) agonist, and is shown to be associated with neuromuscular and reproductive disorders[1][2].

   

L-Cystathionine

(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid

C7H14N2O4S (222.0674)


Cystathionine is a dipeptide formed by serine and homocysteine. Cystathioninuria is a prominent manifestation of vitamin-B6 deficiency. The transsulfuration of methionine yields homocysteine, which combines with serine to form cystathionine, the proximate precursor of cysteine through the enzymatic activity of cystathionase. In conditions in which cystathionine gamma-synthase or cystathionase is deficient, for example, there is cystathioninuria. Although cystathionine has not been detected in normal human serum or plasma by most conventional methods, gas chromatographic/mass spectrometric methodology detected a mean concentration of cystathionine in normal human serum of 140 nM, with a range of 65 to 301 nM. Cystathionine concentrations in CSF have been 10, 1, and 0.5 uM, and "not detected". Only traces (i.e., <1 uM) of cystathionine are present in normal CSF.587. Gamma-cystathionase deficiency (also known as Cystathioninuria), which is an autosomal recessive disorder (NIH: 2428), provided the first instance in which, in a human, the major biochemical abnormality due to a defined enzyme defect was clearly shown to be alleviated by administration of large doses of pyridoxine. The response in gamma-cystathionase-deficient patients is not attributable to correction of a preexisting deficiency of this vitamin (OMMBID, Chap. 88). Isolated from Phallus impudicus (common stinkhorn) CONFIDENCE standard compound; INTERNAL_ID 146 KEIO_ID C019; [MS2] KO008910 KEIO_ID C047 KEIO_ID C019 Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; ML_ID 30 L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2]. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2].

   

Phenindione

2-phenyl-2,3-dihydro-1H-indene-1,3-dione

C15H10O2 (222.0681)


Phenindione is only found in individuals that have used or taken this drug. It is an indandione that has been used as an anticoagulant. Phenindione has actions similar to warfarin, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234)Phenindione inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants

   

Tectoquinone

2-methylanthracene-9,10-dione

C15H10O2 (222.0681)


CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 1128; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2]. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2].

   

4-Phenanthroic acid

4-Phenanthrenecarboxylic acid

C15H10O2 (222.0681)


   

Butoxycarboxim

Butoxycarboxim

C7H14N2O4S (222.0674)


CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5083; ORIGINAL_PRECURSOR_SCAN_NO 5081 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 789; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370

   

Aldoxycarb

Aldicarb (sulfone)

C7H14N2O4S (222.0674)


CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5200; ORIGINAL_PRECURSOR_SCAN_NO 5197 CONFIDENCE standard compound; INTERNAL_ID 1312; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370

   

Flavone

2-Phenyl-4H-1-benzopyran-4-one

C15H10O2 (222.0681)


Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. -- Wikipedia. CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9335 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9398; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370 CONFIDENCE standard compound; INTERNAL_ID 824; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9396 Flavones (flavus = yellow), are a class of flavonoids based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones is found in many foods, some of which are dill, feijoa, pomegranate, and rosemary. CONFIDENCE standard compound; INTERNAL_ID 8089 Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.

   

anthracene-9-carboxylic acid

9-Anthroic acid, sodium salt, 11C-labeled

C15H10O2 (222.0681)


CONFIDENCE standard compound; INTERNAL_ID 8026

   

isoflavon

B-D-Glucopyranoside,phenyl2,3-bis-O-(phenylmethyl)-4,6-O-[(R)-phenylmethylene]-1-thio-

C15H10O2 (222.0681)


Isoflavone is a simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group. Isoflavone is a soy phytoestrogen and a biologically active component of several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa. Soybean is an exceptionally rich source of dietary isoflavones, where the average isoflavone content is 1-2 mg/gram. The main soy isoflavones are mostly present in glycosylated forms and include [DB01645], [DB13182], and glycitein, which accounts for approximately 50\\\\%, 40\\\\%, and 10\\\\%, respectively, of the total soybean isoflavone content. The clinical benefits of soy proteins have been studied and demonstrated for many years, with some evidence of soy products associated with a reduced incidences of coronary heart disease, atherosclerosis, type II diabetes mellitus, and breast and prostate cancer. While existing data are consistent or inadequate in supporting most of the suggested health benefits of consuming soy proteins and isoflavones, the trials investigating isoflavone as a potential treatment for atrophy, menopause, and postmenopausal symptoms are ongoing. Isoflavone is found as one of constituents in oral over-the-counter dietary supplements indicated for improved bone mass density and body fat regulation. Isoflavone is a natural product found in Astragalus mongholicus, Medicago sativa, and other organisms with data available. Isoflavone is a class of polyphenolic compounds derived from the Fabaceae family with potential phytoestrogenic, cholesterol-reducing, chemotherapeutic and antioxidant activity. In isoflavones the phenyl group on the benzopyran ring is in position 3 relative to the oxygen of the ring. Most isoflavones for human consumption and that are currently studied are derived from soy beans. 3-Phenylchromones. Isomeric form of FLAVONOIDS in which the benzene group is attached to the 3 position of the benzopyran ring instead of the 2 position. A simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].

   

Allocystathionine

alpha-Amino-gamma-(2-amino-2-carboxyethylmercapto)-butyric acid

C7H14N2O4S (222.0674)


Allocystathionine belongs to the class of organic compounds known as cysteines and cysteine derivatives. Cysteine and cysteine derivatives are compounds containing cysteine or a derivative thereof resulting from the reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Allocystathionine is a stereo-isomer of cystathionine. Both cystathionine and allocystathionine are modified amino acids generated by enzymic means from homocysteine and serine. Allocystathionine is a product of enzyme cystathionine synthetase (EC 2.5.1.48) which converts homocysteine into allocystathionine in the sulfur metabolism pathway. It is also the substrate of enzyme cystathionine beta-lyase (EC 4.4.1.8) in the same pathway (KEGG). Cystathionine and allocystathionine can be used by the enzymes cystathionine gamma-lyase (CTH), cysteine dioxygenase (CDO), and sulfinoalanine decarboxylase to produce hypotaurine and then taurine. Allocystathionine is a product of enzyme cystathionine synthetase [EC 2.5.1.48] which converts homocysteine to allocystathionine in the sulfur metabolism pathway. It is also the substrate of enzyme cystathionine beta-lyase [4.4.1.8] in the same pathway. (KEGG) [HMDB]

   

Cysteinyl-Threonine

2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]-3-hydroxybutanoic acid

C7H14N2O4S (222.0674)


Cysteinyl-Threonine is a dipeptide composed of cysteine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Threonylcysteine

(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C7H14N2O4S (222.0674)


Threonylcysteine is a dipeptide composed of threonine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

1-Methylanthraquinone

1-methyl-9,10-dihydroanthracene-9,10-dione

C15H10O2 (222.0681)


   

4-Phenylcoumarin

2H-1-Benzopyran-2-one, 4-phenyl-

C15H10O2 (222.0681)


   

Acetamiprid

(1E)-N-((6-Chloro-3-pyridinyl)methyl)-n-cyano-N-methylethanimidamide

C10H11ClN4 (222.0672)


D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals Acetamiprid is a neonicotinoid insecticide used worldwide. Acetamiprid is a nicotinic acetylcholine receptor (nAChR) agonist, and is shown to be associated with neuromuscular and reproductive disorders[1][2].

   

Aldoxycarb

(2-Methanesulphonyl-2-methylpropylidene)[(methyl-C-hydroxycarbonimidoyl)oxy]amine

C7H14N2O4S (222.0674)


   

Aurone

2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-3-one

C15H10O2 (222.0681)


   

Cystathione

2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid

C7H14N2O4S (222.0674)


Cystathione, also known as dl-cystathionine, belongs to cysteine and derivatives class of compounds. Those are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cystathione is soluble (in water) and a moderately acidic compound (based on its pKa). Cystathione can be found in corn, which makes cystathione a potential biomarker for the consumption of this food product. Cystathione may be a unique E.coli metabolite.

   

Isoflavone

Isoflavone

C15H10O2 (222.0681)


Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].

   

Flavone

2-Phenyl-4H-1-benzopyran-4-one

C15H10O2 (222.0681)


Annotation level-1 Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.

   

anthracene-9-carboxylic acid

anthracene-9-carboxylic acid

C15H10O2 (222.0681)


   

Anthocyanidin with a 3-hydroxy group

Anthocyanidin with a 3-hydroxy group

C15H10O2 (222.0681)


   

1-Methylanthraquinone

1-Methylanthraquinone

C15H10O2 (222.0681)


   

Ac-2,12-Tridecadiene-4,6,8,10-tetrayne-1-ol|Tridecadien-(1,11)-tetrain-(3,5,7,9)-ol-(13)-acetat

Ac-2,12-Tridecadiene-4,6,8,10-tetrayne-1-ol|Tridecadien-(1,11)-tetrain-(3,5,7,9)-ol-(13)-acetat

C15H10O2 (222.0681)


   
   

Phenanthrene-3-carboxylic acid

Phenanthrene-3-carboxylic acid

C15H10O2 (222.0681)


   

1-Acetoxy-7-phenyl-heptatriin-(2,4,6)|1-Phenyl-heptatriin-(1,3,5)ol-(7)-acetat|7-Phenyl-heptatriin-(2,4,6)-ylacetat|7-phenylhepta-2,4,6-triynylacetate|Ac-7-Phenyl-2,4,6-heptatriyn-1-ol

1-Acetoxy-7-phenyl-heptatriin-(2,4,6)|1-Phenyl-heptatriin-(1,3,5)ol-(7)-acetat|7-Phenyl-heptatriin-(2,4,6)-ylacetat|7-phenylhepta-2,4,6-triynylacetate|Ac-7-Phenyl-2,4,6-heptatriyn-1-ol

C15H10O2 (222.0681)


   

benzalcoumaranone

benzalcoumaranone

C15H10O2 (222.0681)


   

3-Phenyl-1H-isochromen-1-one

3-Phenyl-1H-isochromen-1-one

C15H10O2 (222.0681)


   

2-Methylanthraquinone

InChI=1/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H

C15H10O2 (222.0681)


2-methylanthraquinone is an anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. It is functionally related to a 9,10-anthraquinone. 2-Methylanthraquinone is a natural product found in Clausena heptaphylla, Ophiorrhiza pumila, and other organisms with data available. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2]. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2].

   

L-Cystathionine

L-Cystathionine

C7H14N2O4S (222.0674)


A modified amino acid generated by enzymic means from L-homocysteine and L-serine. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2]. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2].

   

Flavone - CASMI2016 Category 1 - Challenge 12

Flavone - CASMI2016 Category 1 - Challenge 12

C15H10O2 (222.0681)


   

Cystathionine

Homocysteine,S-(2-amino-2-carboxyethyl)-

C7H14N2O4S (222.0674)


A modified amino acid generated by enzymic means from homocysteine and serine. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2]. L-Cystathionine is a nonprotein thioether and is a key amino acid associated with the metabolic state of sulfur-containing amino acids. L-Cystathionine protects against Homocysteine-induced mitochondria-dependent apoptosis of vascular endothelial cells (HUVECs). L-Cystathionine plays an important role in cardiovascular protection[1][2].

   

2-phenylchromen-4-one

NCGC00090962-07!2-phenylchromen-4-one

C15H10O2 (222.0681)


   

Aldicarb (sulfone)

Pesticide2_Aldicarb sulfone_C7H14N2O4S_Propanal, 2-methyl-2-(methylsulfonyl)-, O-[(methylamino)carbonyl]oxime, (1E)-

C7H14N2O4S (222.0674)


   

Allocystathionine

Homocysteine,S-(2-amino-2-carboxyethyl)-

C7H14N2O4S (222.0674)


   

phenindione

phenindione

C15H10O2 (222.0681)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants

   

2-phenylchromen-4-one [IIN-based: Match]

NCGC00090962-07!2-phenylchromen-4-one [IIN-based: Match]

C15H10O2 (222.0681)


   

Cystathionine; LC-tDDA; CE10

Cystathionine; LC-tDDA; CE10

C7H14N2O4S (222.0674)


   

Cystathionine; LC-tDDA; CE20

Cystathionine; LC-tDDA; CE20

C7H14N2O4S (222.0674)


   

Cystathionine; LC-tDDA; CE30

Cystathionine; LC-tDDA; CE30

C7H14N2O4S (222.0674)


   

Cystathionine; AIF; CE0; CorrDec

Cystathionine; AIF; CE0; CorrDec

C7H14N2O4S (222.0674)


   

Cystathionine; AIF; CE10; CorrDec

Cystathionine; AIF; CE10; CorrDec

C7H14N2O4S (222.0674)


   

Cystathionine; AIF; CE30; CorrDec

Cystathionine; AIF; CE30; CorrDec

C7H14N2O4S (222.0674)


   

Cystathionine; AIF; CE0; MS2Dec

Cystathionine; AIF; CE0; MS2Dec

C7H14N2O4S (222.0674)


   

Cystathionine; AIF; CE10; MS2Dec

Cystathionine; AIF; CE10; MS2Dec

C7H14N2O4S (222.0674)


   

Cystathionine; AIF; CE30; MS2Dec

Cystathionine; AIF; CE30; MS2Dec

C7H14N2O4S (222.0674)


   

Cystathionine; LC-tDDA; CE40

Cystathionine; LC-tDDA; CE40

C7H14N2O4S (222.0674)


   
   
   

Cys-THR

2-(2-amino-3-hydroxybutanamido)-3-sulfanylpropanoic acid

C7H14N2O4S (222.0674)


   

THR-Cys

2-(2-amino-3-sulfanylpropanamido)-3-hydroxybutanoic acid

C7H14N2O4S (222.0674)


   

1 2 4-TRIMETHYLPYRAZOLIUM METHYLSULFATE

1 2 4-TRIMETHYLPYRAZOLIUM METHYLSULFATE

C7H14N2O4S (222.0674)


   

2-Phenyl-chromen-4-one

2-Phenyl-chromen-4-one

C15H10O2 (222.0681)


   

4-pyrrol-1-ylpyridine-2-carboximidamide,hydrochloride

4-pyrrol-1-ylpyridine-2-carboximidamide,hydrochloride

C10H11ClN4 (222.0672)


   

3-methyl-1,6-naphthyridine-2-carboximidamide,hydrochloride

3-methyl-1,6-naphthyridine-2-carboximidamide,hydrochloride

C10H11ClN4 (222.0672)


   

7-methyl-1,8-naphthyridine-2-carboximidamide,hydrochloride

7-methyl-1,8-naphthyridine-2-carboximidamide,hydrochloride

C10H11ClN4 (222.0672)


   

3-PHENANTHRENECARBOXYLIC ACID

3-PHENANTHRENECARBOXYLIC ACID

C15H10O2 (222.0681)


   

Benzalphthalide

3-Benzylidenphthalide

C15H10O2 (222.0681)


   

phenanthrene-2-carboxylic acid

phenanthrene-2-carboxylic acid

C15H10O2 (222.0681)


   

9-Phenanthrenecarboxylic acid

9-Phenanthrenecarboxylic acid

C15H10O2 (222.0681)


   

Benzoic acid,3-(2-phenylethynyl)-

Benzoic acid,3-(2-phenylethynyl)-

C15H10O2 (222.0681)


   

2-BROMO-1-(2,6-DIMETHOXYPHENYL)ETHANONE

2-BROMO-1-(2,6-DIMETHOXYPHENYL)ETHANONE

C10H11ClN4 (222.0672)


   

1,2,3-TriMethyliMidazoliuM Methylsulfate

1,2,3-TriMethyliMidazoliuM Methylsulfate

C7H14N2O4S (222.0674)


   

4-(Phenylethynyl)benzoic acid

4-(Phenylethynyl)benzoic acid

C15H10O2 (222.0681)


   

1-ANTHRACENECARBOXYLIC ACID

1-ANTHRACENECARBOXYLIC ACID

C15H10O2 (222.0681)


   

(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide methanesulfonate

(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide methanesulfonate

C7H14N2O4S (222.0674)


   

2H-1-Benzopyran-2-one,3-phenyl-

2H-1-Benzopyran-2-one,3-phenyl-

C15H10O2 (222.0681)


   

Acetic acid,9H-fluoren-9-ylidene-

Acetic acid,9H-fluoren-9-ylidene-

C15H10O2 (222.0681)


   

Methanone,2-benzofuranylphenyl-

Methanone,2-benzofuranylphenyl-

C15H10O2 (222.0681)


   

1-ethyl-3-methylimidazol-3-ium,methyl sulfate

1-ethyl-3-methylimidazol-3-ium,methyl sulfate

C7H14N2O4S (222.0674)


   

2-Anthracenecarboxylicacid

2-Anthracenecarboxylic acid

C15H10O2 (222.0681)


   

1-(5-chloro-2,6-dimethyl-1,8-naphthyridin-7-yl)hydrazine

1-(5-chloro-2,6-dimethyl-1,8-naphthyridin-7-yl)hydrazine

C10H11ClN4 (222.0672)


   
   

(S)-S-(2-Amino-2-carboxyethyl)-D-homocysteine

(S)-S-(2-Amino-2-carboxyethyl)-D-homocysteine

C7H14N2O4S (222.0674)


   

D-allocystathionine

D-allocystathionine

C7H14N2O4S (222.0674)


   

Tectochinon

InChI=1\C15H10O2\c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16\h2-8H,1H

C15H10O2 (222.0681)


Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2]. Tectoquinone (2-Methylanthraquinone) is a SARSCoV-2 main protease inhibitor against COVID-19. Tectoquinone exhibits strong mosquito larvicidal activity with the LC50 values of 3.3 and 5.4 μg/ml against A. aegypti and A. albopictus in 24 h, respectively[1][2].

   

Flavon

InChI=1\C15H10O2\c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14\h1-10

C15H10O2 (222.0681)


Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.

   

isoflavon

4H-1-Benzopyran-4-one, 3-phenyl- (9CI)

C15H10O2 (222.0681)


Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2]. Isoflavone, a soy phytoestrogen and a biologically active component, presents in several agriculturally important legumes such as soy, peanut, green peas, chick peas and alfalfa[1][2].

   

(2R)-2-azaniumyl-4-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}butanoate

(2R)-2-azaniumyl-4-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}butanoate

C7H14N2O4S (222.0674)


   

D-Cystathionine

D-Cystathionine

C7H14N2O4S (222.0674)


   

S-[(R)-2-Amino-2-carboxyethyl]-D-homocysteine

S-[(R)-2-Amino-2-carboxyethyl]-D-homocysteine

C7H14N2O4S (222.0674)


   

(2S)-2-azaniumyl-4-[(2S)-2-azaniumyl-2-carboxylatoethyl]sulfanylbutanoate

(2S)-2-azaniumyl-4-[(2S)-2-azaniumyl-2-carboxylatoethyl]sulfanylbutanoate

C7H14N2O4S (222.0674)


   

L-allocystathionine

L-allocystathionine

C7H14N2O4S (222.0674)


   

Threoninyl-cysteine

Threoninyl-cysteine

C7H14N2O4S (222.0674)


   

N-acetyl-L-methionine sulfoximine

N-acetyl-L-methionine sulfoximine

C7H14N2O4S (222.0674)


   

Flavone

InChI=1/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10

C15H10O2 (222.0681)


Flavone is the simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. It has a role as a metabolite and a nematicide. Flavone is a natural product found in Grindelia hirsutula, Asphodeline damascena, and other organisms with data available. Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. -- Wikipedia. Flavones (flavus = yellow), are a class of flavonoids based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Flavones is found in many foods, some of which are dill, feijoa, pomegranate, and rosemary. The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. Flavone is an endogenous metabolite. Flavone is an endogenous metabolite.

   

4-Phenanthrenecarboxylic acid

4-Phenanthrenecarboxylic acid

C15H10O2 (222.0681)


   

L-cystathionine dizwitterion

L-cystathionine dizwitterion

C7H14N2O4S (222.0674)


Dizwitterionic form of L-cystathionine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.

   

4-phenylcoumarin

2H-1-Benzopyran-2-one, 4-phenyl-

C15H10O2 (222.0681)


The simplest member of the class of neoflavones that is coumarin substituted by a phenyl group at position 4.

   

9-Anthroic acid

anthracene-9-carboxylic acid

C15H10O2 (222.0681)


   

Cysteinyl-Threonine

Cysteinyl-Threonine

C7H14N2O4S (222.0674)


   

Threonylcysteine

Threonylcysteine

C7H14N2O4S (222.0674)


   

(2r)-2-amino-3-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid

(2r)-2-amino-3-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid

C7H14N2O4S (222.0674)


   

2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid

2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid

C7H14N2O4S (222.0674)


   

7-phenylhepta-2,4,6-triyn-1-yl acetate

7-phenylhepta-2,4,6-triyn-1-yl acetate

C15H10O2 (222.0681)


   

(2e)-trideca-2,12-dien-4,6,8,10-tetrayn-1-yl acetate

(2e)-trideca-2,12-dien-4,6,8,10-tetrayn-1-yl acetate

C15H10O2 (222.0681)


   

trideca-2,12-dien-4,6,8,10-tetrayn-1-yl acetate

trideca-2,12-dien-4,6,8,10-tetrayn-1-yl acetate

C15H10O2 (222.0681)


   

3-(hexa-2,4-diyn-1-yl)isochromen-1-one

3-(hexa-2,4-diyn-1-yl)isochromen-1-one

C15H10O2 (222.0681)


   

(2r,3s)-2-amino-3-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid

(2r,3s)-2-amino-3-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid

C7H14N2O4S (222.0674)