Exact Mass: 466.14750460000005

Exact Mass Matches: 466.14750460000005

Found 500 metabolites which its exact mass value is equals to given mass value 466.14750460000005, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Agnuside

((1S,4AR,5S,7AS)-5-HYDROXY-1-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)-1,4A,5,7A-TETRAHYDROCYCLOPENTA[C]PYRAN-7-YL)METHYL 4-HYDROXYBENZOATE

C22H26O11 (466.14750460000005)

Agnuside is a benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus. It has a role as a plant metabolite, an anti-inflammatory agent, a pro-angiogenic agent and a cyclooxygenase 2 inhibitor. It is a terpene glycoside, an iridoid monoterpenoid, a benzoate ester, a member of phenols, a beta-D-glucoside, a cyclopentapyran and a monosaccharide derivative. It is functionally related to an aucubin. Agnuside is a natural product found in Crescentia cujete, Vitex peduncularis, and other organisms with data available. See also: Chaste tree fruit (part of); Vitex negundo leaf (part of). Isolated from Vitex agnus-castus (agnus castus). Agnuside is found in herbs and spices and fruits. Agnuside is found in fruits. Agnuside is isolated from Vitex agnus-castus (agnus castus). Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1]. Agnuside is used in the study of asthma, inflammation, and angiogenic diseases. Agnuside is an orally active compound that can be extracted from Vitex negundo[1][2][3][4]. Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1].

Plantagoside

(S)-2-(3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-5,7-dihydroxychroman-4-one

C21H22O12 (466.1111212)

Plantagoside is a flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 4 and 5 and a beta-D-glucopyranosyloxy group at position 3 respectively. It has a role as a plant metabolite. It is a flavanone glycoside, a tetrahydroxyflavanone, a monosaccharide derivative, a beta-D-glucoside and a member of 4-hydroxyflavanones. It is functionally related to a (2S)-flavanone. Plantagoside is a natural product found in Plantago asiatica, Plantago major, and other organisms with data available. A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 4 and 5 and a beta-D-glucopyranosyloxy group at position 3 respectively. Plantagoside, isolated from the seeds of Plantago asiatica, is a specific and non-competitive inhibitor for jack bean α-mannosidase, with an IC50 of 5 μM[1]. Plantagoside, isolated from the seeds of Plantago asiatica, is a specific and non-competitive inhibitor for jack bean α-mannosidase, with an IC50 of 5 μM[1].

Silandrin

5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one

C25H22O9 (466.1263762)

Constituent of Silybum marianum (milk thistle). Silandrin is found in coffee and coffee products and green vegetables. Silandrin is found in coffee and coffee products. Silandrin is a constituent of Silybum marianum (milk thistle).

S-(p-Azidophenacyl)glutathione

S-(4-Azidophenacyl)glutathione; S-(p-Azidophenacyl)glutathione

C18H22N6O7S (466.1270622)

HA15

C23H22N4O3S2 (466.1133262)

Glucodistylin

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

C21H22O12 (466.1111212)

Glucodistylin is a polyphenol compound found in foods of plant origin (PMID: 20428313). A polyphenol compound found in foods of plant origin (PhenolExplorer)

Silyhermin

5,7-dihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-2H-1-benzopyran-4-one

C25H22O9 (466.1263762)

Constituent of Silybum marianum (milk thistle). Silyhermin is found in coffee and coffee products and green vegetables. Silyhermin is found in coffee and coffee products. Silyhermin is a constituent of Silybum marianum (milk thistle).

Melledonal B

3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2ah,4ah,5H,6H,7H,7ah,7BH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoic acid

C23H27ClO8 (466.13943720000003)

Melledonal B is found in mushrooms. Melledonal B is from Armillaria mellea (honey mushroom). From Armillaria mellea (honey mushroom). Melledonal B is found in mushrooms.

Neosilyhermin A

5,7-dihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-4-yl]-3,4-dihydro-2H-1-benzopyran-4-one

C25H22O9 (466.1263762)

Constituent of Silybum marianum (milk thistle). Neosilyhermin A is found in coffee and coffee products and green vegetables. Neosilyhermin B is found in coffee and coffee products. Neosilyhermin B is a constituent of Silybum marianum (milk thistle).

Spirapril

(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid

C22H30N2O5S2 (466.159605)

Spirapril is an ACE inhibitor antihypertensive drug used to treat hypertension. Like many ACE inhibitors, this is a prodrug which is converted to the active metabolite spiraprilat following oral administration. ACE inhibitors are used primarily in treatment of hypertension and congestive heart failure. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

hesperetin-7-O-glucuronide

3,4,5-trihydroxy-6-{[8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy}oxane-2-carboxylic acid

C21H22O12 (466.1111212)

hesperetin-7-O-glucuronide is metabolite of the citrus fruit hesperitin.

(-)-Epicatechin 3'-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

C21H22O12 (466.1111212)

(-)-Epicatechin 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

(-)-Epicatechin 7-O-glucuronide

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22O12 (466.1111212)

(-)-Epicatechin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

Catechin 7-glucuronide

(2S,3S,4S,5R,6S)-6-{[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22O12 (466.1111212)

Catechin 7-glucuronide belongs to the class of organic compounds known as flavonoid-7-O-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. BioTransformer predicts that catechin 7-glucuronide is a product of catechin metabolism via an aromatic-OH-glucuronidation and catalyzed by the UDP-glucuronosyltransferase 1-1 (P22309) enzyme (PMID: 30612223).

Catechin 3'-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-5-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

C21H22O12 (466.1111212)

Catechin 3-glucuronide belongs to the class of organic compounds known as flavonoid O-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. BioTransformer predicts that catechin 3-glucuronide is a product of catechin metabolism via an aromatic-OH-glucuronidation and catalyzed by the UDP-glucuronosyltransferase 1-1 (P22309) enzyme (PMID: 30612223).

Catechin 3-glucuronide

(2S,3S,4S,5R,6R)-6-{[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22O12 (466.1111212)

Epicatechin 3-glucuronide

(2S,3S,4S,5R,6R)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22O12 (466.1111212)

Catechin 4'-glucuronide

(3S,4S,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

C21H22O12 (466.1111212)

Catechin 5-glucuronide

(2S,3S,4S,5R,6S)-6-{[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22O12 (466.1111212)

Epicatechin 4'-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}oxane-2-carboxylic acid

C21H22O12 (466.1111212)

Epicatechin 5-O-glucuronide

(2S,3S,4S,5R,6S)-6-{[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22O12 (466.1111212)

Epicatechin 5-O-glucuronide (E5G) belongs to the class of organic compounds known as flavonoid O-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. E5G is an extremely weak basic (essentially neutral) compound (based on its pKa).

Loteprednol etabonate

chloromethyl 14-[(ethoxycarbonyl)oxy]-17-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-14-carboxylate

C24H31ClO7 (466.1758206)

Acyclonucleoside

phenyl 3-[(3-benzyl-2,2,4-trioxo-3,4-dihydro-1H-2lambda6,1,3-benzothiadiazin-1-yl)methoxy]propanoate

C24H22N2O6S (466.1198512)

Curculigoside

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

C22H26O11 (466.14750460000005)

Esaxerenone

1-(2-Hydroxyethyl)-4-methyl-N-(4-(methylsulfonyl)phenyl)-5-(2-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxamide

C22H21F3N2O4S (466.11740620000006)

C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent

(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid

C21H22O12 (466.1111212)

(2S,3S,4S,5R)-6-[[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22O12 (466.1111212)

Thymol blue

3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3H-2,1lambda6-benzoxathiole-1,1-dione

C27H30O5S (466.18138500000003)

Atecegatran

N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide

C21H21ClF2N4O4 (466.1219320000001)

Dihydromyricetin 3-rhamnoside

5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C21H22O12 (466.1111212)

Dihydromyricetin 3-rhamnoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Dihydromyricetin 3-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydromyricetin 3-rhamnoside can be found in grape wine, which makes dihydromyricetin 3-rhamnoside a potential biomarker for the consumption of this food product.

Curculigoside_A

(5-Hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-dimethoxybenzoate

C22H26O11 (466.14750460000005)

Curculigoside is a natural product found in Curculigo pilosa, Curculigo sinensis, and other organisms with data available. Curculigoside is the main saponin in C. orchioide, exerts significant antioxidant, anti-osteoporosis, antidepressant and neuroprotection effects. Curculigoside possesses significant anti-arthritic effects in vivo and in vitro via regulation of the JAK/STAT/NF-κB signaling pathway[1]. Curculigoside is the main saponin in C. orchioide, exerts significant antioxidant, anti-osteoporosis, antidepressant and neuroprotection effects. Curculigoside possesses significant anti-arthritic effects in vivo and in vitro via regulation of the JAK/STAT/NF-κB signaling pathway[1].

Veronicoside

C22H26O11 (466.14750460000005)

3,5,7,3,4-Pentahydroxyflavanone 7-alpha-D-glucopyranoside

C21H22O12 (466.1111212)

Ampelopsin 3-rhamnoside

3,5,7,3,4,5-Hexahydroxyflavanone 3-rhamnoside

C21H22O12 (466.1111212)

Interiotherin D

C26H26O8 (466.1627596)

TAN 1030A

C27H22N4O4 (466.1640972)

Taxifolin 3-glucoside

Taxifolin 3-O-glucoside

C21H22O12 (466.1111212)

Tetraludin A

C23H30O10 (466.183888)

6-C-Glucopyranosyldihydroquercetin

3,5,7,3,4-Pentahydroxyflavanone 6-C-glucopyranoside

C21H22O12 (466.1111212)

Catechin 5-O-beta-D-glucopyranoside-4-Me

C22H26O11 (466.14750460000005)

Lehmbachol D

C26H26O8 (466.1627596)

Polystachin (flavone)

(9S) -9- [ (1R) -1,2-bis (Acetyloxy) -2-methylpropyl ] -8,9-dihydro-5-methoxy-2-phenyl-4H-furo [ 2,3-h ] -1-benzopyran-4-one

C26H26O8 (466.1627596)

10-O-Benzoylcatalpol

(-)-10-O-Benzoylcatalpol

C22H26O11 (466.14750460000005)

Symplocoside

(2R,3R) -3,5,7,4-Tetrahydroxy-3-methoxyflavan 7-O-glucoside

C22H26O11 (466.14750460000005)

Icariside A6

3,5-Dihydroxy-3,4,4-trimethoxybibenzyl-5-O-glucoside

C23H30O10 (466.183888)

Terrestrin B

C26H26O8 (466.1627596)

Plagiochilin D

C23H30O10 (466.183888)

Heraclenol 3-O-glucoside

C22H26O11 (466.14750460000005)

6-O-(4-hydroxybenzoyl)-6-epiaucubin

C22H26O11 (466.14750460000005)

Oxypeucedanin hydrate 3-O-beta-glucopyranoside

C22H26O11 (466.14750460000005)

FT-0686587

C22H26O11 (466.14750460000005)

Forsythenside B

C22H26O11 (466.14750460000005)

Yunngnoside A

C22H26O11 (466.14750460000005)

Hyperielliptone HD

C25H22O9 (466.1263762)

3-Hydroxyasebotin

(-)-3-Hydroxyasebotin

C22H26O11 (466.14750460000005)

CHEMBL465512

C25H22O9 (466.1263762)

Silymonin

3,6-Methanobenzofuran-7 (6H) -one,4- (3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl) -2,3,3a,7a-tetrahydro-7a-hydroxy-8- (4-hydroxy-3-methoxyphenyl) -, (3R- (3alpha,3abeta,4 (S*) ,6alpha,7abeta,8R*) ) -

C25H22O9 (466.1263762)

Catechin-4-ol 3-methyl ether 3-O-alpha-L-rhamnopyranoside

3,4,5,7,3,4-Hexahydroxyflavan 3-O-alpha-L-rhamnopyranoside

C22H26O11 (466.14750460000005)

Lippsidoquinone

C30H26O5 (466.17801460000004)

Neosilyhermin A

2- [ 2,3-Dihydro-7-hydroxy-2- (4-hydroxy-3-methoxyphenyl) -3- (hydroxymethyl) benzofuran-4-yl ] -2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

C25H22O9 (466.1263762)

Silandrin

(2S) -2alpha- [ [ (2R,3R) -2,3-Dihydro-2- (4-hydroxy-3-methoxyphenyl) -3- (hydroxymethyl) -1,4-benzodioxin ] -6-yl ] -2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

C25H22O9 (466.1263762)

A flavonolignan isolated from milk thistle, Silybum marianum, and has been shown to exhibit hepatoprotective activity.

Silyhermin

C25H22O9 (466.1263762)

CP-471358

C21H23FN2O7S (466.120994)

CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4194; ORIGINAL_PRECURSOR_SCAN_NO 4193 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4227; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4216; ORIGINAL_PRECURSOR_SCAN_NO 4215 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4209; ORIGINAL_PRECURSOR_SCAN_NO 4208 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4225 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4182; ORIGINAL_PRECURSOR_SCAN_NO 4177 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8683; ORIGINAL_PRECURSOR_SCAN_NO 8681 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8696; ORIGINAL_PRECURSOR_SCAN_NO 8693 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8719; ORIGINAL_PRECURSOR_SCAN_NO 8714 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8737; ORIGINAL_PRECURSOR_SCAN_NO 8734 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8736; ORIGINAL_PRECURSOR_SCAN_NO 8733 CONFIDENCE standard compound; INTERNAL_ID 1259; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8747; ORIGINAL_PRECURSOR_SCAN_NO 8743

chloromethyl 17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate

C24H31ClO7 (466.1758206)

GalNAcGlcNAcGA

C18H30N2O12 (466.179866)

[Chemical] Source; sea squirt H-antigen (limited periodate oxide)

MMV689243

C23H20F6N4 (466.15920719999997)

rel-(2R,3S)-3-hydroxymethyl-9-methoxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,6,7-tetrahydrophenanthro[4,3-b]furan-5,11-diol

C26H26O8 (466.1627596)

6,10,15-trihydro-9(2-hydroxy-2-methylpropyl)-6,6-dimethyldibenzopyrano <2,3-c>xanthen-10-15-quinone|6,10,15-trihydro-9(2-hydroxy-2-methylpropyl)-6,6-dimethyldibenzo[a,i]pyrano [2,3-c]xanthen-10-15-quinone|Tecomaquinone III

6,10,15-trihydro-9(2-hydroxy-2-methylpropyl)-6,6-dimethyldibenzopyrano <2,3-c>xanthen-10-15-quinone|6,10,15-trihydro-9(2-hydroxy-2-methylpropyl)-6,6-dimethyldibenzo[a,i]pyrano [2,3-c]xanthen-10-15-quinone|Tecomaquinone III

C30H26O5 (466.17801460000004)

linichlorin B diacetate

C23H27ClO8 (466.13943720000003)

7-O-Methyl leucopelargonidin-3-mono-glucofuranoside

C22H26O11 (466.14750460000005)

15-Acetyl-13alpha(21)-epoxyeurycomanone

C22H26O11 (466.14750460000005)

C25H26N2O7

C25H26N2O7 (466.1739926)

Acumitin

C29H22O6 (466.1416312)

A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3, a 2-hydroxybenzyl group at position 2 and a 3-phenylpropanoyl group at position 4. It is isolated from the roots of Uvaria acuminata and exhibits potent cytotoxicity against human promyelocytic leukemia HL-60 cells.

2-methoxy-3,4,6-trihydroxy-alpha-chalcanol-alpha,beta-epoxide-4-O-beta-D-glucopyranoside|trifochalcanoloside II

C22H26O11 (466.14750460000005)

Agnuside

((1S,4AR,5S,7AS)-5-HYDROXY-1-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)-1,4A,5,7A-TETRAHYDROCYCLOPENTA[C]PYRAN-7-YL)METHYL 4-HYDROXYBENZOATE

C22H26O11 (466.14750460000005)

Agnuside is a benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus. It has a role as a plant metabolite, an anti-inflammatory agent, a pro-angiogenic agent and a cyclooxygenase 2 inhibitor. It is a terpene glycoside, an iridoid monoterpenoid, a benzoate ester, a member of phenols, a beta-D-glucoside, a cyclopentapyran and a monosaccharide derivative. It is functionally related to an aucubin. Agnuside is a natural product found in Crescentia cujete, Vitex peduncularis, and other organisms with data available. See also: Chaste tree fruit (part of); Vitex negundo leaf (part of). A benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus. Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1]. Agnuside is used in the study of asthma, inflammation, and angiogenic diseases. Agnuside is an orally active compound that can be extracted from Vitex negundo[1][2][3][4]. Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1].

6-acetylsalicortin|6?-O-acetylsalicortin

C22H26O11 (466.14750460000005)

Lyonotin

C22H26O11 (466.14750460000005)

C22H26O11

C22H26O11 (466.14750460000005)

2-(3,4-dihydroxyphenyl)ethyl 3-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside C

C22H26O11 (466.14750460000005)

3-O-beta-D-glucopyranosyl-8-O-beta-acetyl-1alphaH,5alphaH,6betaH,7alphaH-guai-3(4),10(14),11(13)-triene-15-methyl-6,12-olide|lapsanoside C

C23H30O10 (466.183888)

Tecomaquinone II

C30H26O5 (466.17801460000004)

C26H26O8

C26H26O8 (466.1627596)

isoneohelmanticine

C23H30O10 (466.183888)

Glaucolide A

C23H30O10 (466.183888)

Araliangin

C26H26O8 (466.1627596)

12-O-acetylbromovulone II

C23H31BrO5 (466.1354736)

3-O-beta-D-glucopyranosyl-8-O-beta-acetyl-1alphaH,5alphaH,6betaH,7alphaH-guai-4(15),10(14),11(13)-triene-6,12-olide|lapsanoside A

C23H30O10 (466.183888)

Coatline B

C22H26O11 (466.14750460000005)

2-(4-hydroxyphenyl)ethyl 4,6-O-[(1R,4E)-3-(carboxymethyl)-4-formylhex-4-en-1-ylidene]-beta-Dglucopyranoside|ilexin B

C23H30O10 (466.183888)

Cadensin G

C25H22O9 (466.1263762)

Melleolide I

C24H31ClO7 (466.1758206)

SCHEMBL6259914

C25H22O9 (466.1263762)

1095322-03-4

C22H26O11 (466.14750460000005)

selaginellin A

C33H22O3 (466.15688620000003)

trans-2-{3-O-acetyl-4-O-[(E)-4-hydroxycinnamoyl]-beta-D-glucopyranosyloxy}cyclohexanol

C23H30O10 (466.183888)

4,5,8-triacetylpalmarumycin M1

C26H26O8 (466.1627596)

corchoionoside C 6-O-sulfate

C19H30O11S (466.15087500000004)

3,3-Bis(hydroxymethyl)-4,4,8,8-tetramethoxy-2,2-binaphthalene-1,1-diol

C26H26O8 (466.1627596)

2-Hydroxy-5-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-4,6-dimethylbenzoic acid 3-hydroxy-2,5-dimethylphenyl ester

C26H26O8 (466.1627596)

C23H27ClO8

C23H27ClO8 (466.13943720000003)

(+)-4-methylcatechin-7-O-beta-D-glucopyranoside

C22H26O11 (466.14750460000005)

1,3-dimethoxyl-4-hydroxyalangifolioside

C22H26O11 (466.14750460000005)

4-O-(6-vanilloyl)-beta-D-glucopyranosyl vanillyl alcohol|saccharumoside B

C22H26O11 (466.14750460000005)

neohelmanticine

C23H30O10 (466.183888)

2-(hydroxymethyl)-4-oxo-4Hpyran-3-yl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|petrorhagioside A

C18H26O14 (466.1322496)

(3R,3aR,6R,7aR,8R)-(9CI)|4-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzo-furan-7(6H)-one|silydianin|silymonin

(3R,3aR,6R,7aR,8R)-(9CI)|4-[(2S)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-3,6-methanobenzo-furan-7(6H)-one|silydianin|silymonin

C25H22O9 (466.1263762)

Derwentioside B

C22H26O11 (466.14750460000005)

2-(hydroxymethyl)-4-oxo-4H-pyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|petrorhagioside C

C18H26O14 (466.1322496)

2-O-Acetylsalicortin

C22H26O11 (466.14750460000005)

3?-O-acetylsalicortin

C22H26O11 (466.14750460000005)

epicatechin-(7,8-bc)-4alpha-(3-methoxy-4-hydroxy-phenyl)-dihydro-2(3H)-pyranone|smiglabrone B

C25H22O9 (466.1263762)

4-chloro-5-hydroxyl-3-methyl-phenyl O-alpha-L-rhamnopyranosyl-(1?6)-beta-D-glucopyranoside

C19H27ClO11 (466.12418219999995)

1-(4-beta-D-Glucopyranosyloxy-2,6-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-on|1-(4-beta-D-glucopyranosyloxy-2,6-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-one|hesperetin dihydrochalcone 4-beta-D-glucoside|Hesperetin-dihydrochalkon-glucosid|hesperitin dihydrochalcone 4-beta-D-glucopyranoside

1-(4-beta-D-Glucopyranosyloxy-2,6-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-on|1-(4-beta-D-glucopyranosyloxy-2,6-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-one|hesperetin dihydrochalcone 4-beta-D-glucoside|Hesperetin-dihydrochalkon-glucosid|hesperitin dihydrochalcone 4-beta-D-glucopyranoside

C22H26O11 (466.14750460000005)