Exact Mass: 466.1416
Exact Mass Matches: 466.1416
Found 500 metabolites which its exact mass value is equals to given mass value 466.1416
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Agnuside
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
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
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).
Silyhermin
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
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
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
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
Acyclonucleoside
Curculigoside
Esaxerenone
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Atecegatran
Curculigoside_A
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].
Polystachin (flavone)
Catechin-4-ol 3-methyl ether 3-O-alpha-L-rhamnopyranoside
Neosilyhermin A
Silandrin
A flavonolignan isolated from milk thistle, Silybum marianum, and has been shown to exhibit hepatoprotective activity.
CP-471358
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
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
7-O-Methyl leucopelargonidin-3-mono-glucofuranoside
Acumitin
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
Agnuside
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].
2-(3,4-dihydroxyphenyl)ethyl 3-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside C
3,3-Bis(hydroxymethyl)-4,4,8,8-tetramethoxy-2,2-binaphthalene-1,1-diol
2-Hydroxy-5-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-4,6-dimethylbenzoic acid 3-hydroxy-2,5-dimethylphenyl ester
4-O-(6-vanilloyl)-beta-D-glucopyranosyl vanillyl alcohol|saccharumoside B
2-(hydroxymethyl)-4-oxo-4Hpyran-3-yl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|petrorhagioside A
(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
2-(hydroxymethyl)-4-oxo-4H-pyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|petrorhagioside C
epicatechin-(7,8-bc)-4alpha-(3-methoxy-4-hydroxy-phenyl)-dihydro-2(3H)-pyranone|smiglabrone B
4-chloro-5-hydroxyl-3-methyl-phenyl O-alpha-L-rhamnopyranosyl-(1?6)-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
(2R,3S)-3,4-dihydro-2-(3,4-dihydroxyphenyl)-3-hydroxy-7-methoxy-2H-chromen-5-yl beta-D-glucopyranoside|7-O-methylcatechin 5-O-beta-D-glucopyranoside
2-(3,4-dihydroxyphenyl)ethyl 2-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside A
2-(3,4-dihydroxyphenyl)ethyl 6-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside D
3-methoxy-4-O-beta-D-glucopyranosylbenzyl vanilloate|litseaefoloside B
1-O-beta-D-(3,4-dihydroxypheny1)-ethyl-6-O-vanilloyl-glucopyranoside|1-O-??-D-(3,4-Dihydroxyphenyl)-ethyl-6-O-vanilloyl-glucopyranoside
dahurin B|sec-O-beta-D-glucopyranosyl-(R)-heraclenol
Ala Asp Phe Asp
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)hexan-1-imine
N-(beta-D-glucosyl)-(indol-3-yl)acetyl-L-glutamate
4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one
4-[(2S)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one
C22H26O11_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-(benzoyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
C22H26O11_Benzoic acid, 4-hydroxy-, 1-(hexopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl ester
C22H26O11_2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-[(2-O-acetyl-beta-D-glucopyranosyl)oxy]phenyl]methyl ester
[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] benzoate
4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000846431]
4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]
[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-6-yl] benzoate_major
Ala Asp Asp Phe
Ala Asp Met Met
Ala Phe Asp Asp
Ala Met Asp Met
Ala Met Met Asp
Cys Cys Glu Ile
Cys Cys Glu Leu
Cys Cys Ile Glu
Cys Cys Lys Asn
Cys Cys Leu Glu
Cys Cys Asn Lys
Cys Cys Asn Gln
Cys Cys Gln Asn
Cys Asp Glu Thr
Cys Asp Met Val
Cys Asp Thr Glu
Cys Asp Val Met
Cys Glu Cys Ile
Cys Glu Cys Leu
Cys Glu Asp Thr
Cys Glu Glu Ser
Cys Glu Ile Cys
Cys Glu Leu Cys
Cys Glu Ser Glu
Cys Glu Thr Asp
Cys Ile Cys Glu
Cys Ile Glu Cys
Cys Lys Cys Asn
Cys Lys Asn Cys
Cys Leu Cys Glu
Cys Leu Glu Cys
Cys Met Asp Val
Cys Met Val Asp
Cys Asn Cys Lys
Cys Asn Cys Gln
Cys Asn Lys Cys
Cys Asn Gln Cys
Cys Gln Cys Asn
Cys Gln Asn Cys
Cys Ser Glu Glu
Cys Thr Asp Glu
Cys Thr Glu Asp
Cys Val Asp Met
Cys Val Met Asp
Asp Ala Asp Phe
Asp Ala Phe Asp
Asp Ala Met Met
Asp Cys Glu Thr
Asp Cys Met Val
Asp Cys Thr Glu
Asp Cys Val Met
Asp Asp Ala Phe
Asp Asp Phe Ala
Asp Asp Met Ser
Asp Asp Ser Met
Asp Glu Cys Thr
Asp Glu Phe Gly
Asp Glu Gly Phe
Asp Glu Thr Cys
Asp Phe Ala Asp
Asp Phe Asp Ala
Asp Phe Glu Gly
Asp Phe Gly Glu
Asp Gly Glu Phe
Asp Gly Phe Glu
Asp Met Ala Met
Asp Met Cys Val
Asp Met Asp Ser
Asp Met Met Ala
Asp Met Ser Asp
Asp Met Val Cys
Asp Ser Asp Met
Asp Ser Met Asp
Asp Thr Cys Glu
Asp Thr Glu Cys
Asp Val Cys Met
Asp Val Met Cys
Glu Cys Cys Ile
Glu Cys Cys Leu
Glu Cys Asp Thr
Glu Cys Glu Ser
Glu Cys Ile Cys
Glu Cys Leu Cys
Glu Cys Ser Glu
Glu Cys Thr Asp
Glu Asp Cys Thr
Glu Asp Phe Gly
Glu Asp Gly Phe
Glu Asp Thr Cys
Glu Glu Cys Ser
Glu Glu Ser Cys
Glu Phe Asp Gly
Glu Phe Gly Asp
Glu Gly Asp Phe
Glu Gly Phe Asp
Glu Gly Met Met
Glu Ile Cys Cys
Glu Leu Cys Cys
Glu Met Gly Met
Glu Met Met Gly
Glu Ser Cys Glu
Glu Ser Glu Cys
Glu Thr Cys Asp
Glu Thr Asp Cys
Phe Ala Asp Asp
Phe Asp Ala Asp
Phe Asp Asp Ala
Phe Asp Glu Gly
Phe Asp Gly Glu
Phe Glu Asp Gly
Phe Glu Gly Asp
Phe Gly Asp Glu
Phe Gly Glu Asp
Gly Asp Glu Phe
Gly Asp Phe Glu
Gly Glu Asp Phe
Gly Glu Phe Asp
Gly Glu Met Met
Gly Phe Asp Glu
Gly Phe Glu Asp
Gly Met Glu Met
Gly Met Met Glu
Ile Cys Cys Glu
Ile Cys Glu Cys
Ile Glu Cys Cys
Lys Cys Cys Asn
Lys Cys Asn Cys
Lys Asn Cys Cys
Leu Cys Cys Glu
Leu Cys Glu Cys
Leu Glu Cys Cys
Met Ala Asp Met
Met Ala Met Asp
Met Cys Asp Val
Met Cys Val Asp
Met Asp Ala Met
Met Asp Cys Val
Met Asp Asp Ser
Met Asp Met Ala
Met Asp Ser Asp
Met Asp Val Cys
Met Glu Gly Met
Met Glu Met Gly
Met Gly Glu Met
Met Gly Met Glu
Met Met Ala Asp
Met Met Asp Ala
Met Met Glu Gly
Met Met Gly Glu
Met Ser Asp Asp
Met Val Cys Asp
Met Val Asp Cys
Asn Cys Cys Lys
Asn Cys Cys Gln
Asn Cys Lys Cys
Asn Cys Gln Cys
Asn Lys Cys Cys
Asn Gln Cys Cys
Gln Cys Cys Asn
Gln Cys Asn Cys
Gln Asn Cys Cys
Ser Cys Glu Glu
Ser Asp Asp Met
Ser Asp Met Asp
Ser Glu Cys Glu
Ser Glu Glu Cys
Ser Met Asp Asp
Thr Cys Asp Glu
Thr Cys Glu Asp
Thr Asp Cys Glu
Thr Asp Glu Cys
Thr Glu Cys Asp
Thr Glu Asp Cys
Val Cys Asp Met
Val Cys Met Asp
Val Asp Cys Met
Val Asp Met Cys
Val Met Cys Asp
Val Met Asp Cys
Spirapril
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
Melledonal B
2-METHANESULFONYL-5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOLE
4-methylumbelliferyl phosphate, bis(2-amino-2-methyl-1,3-propanediol) salt
(1s,4s)-(+)-2-naphthalen-2-ylmethyl-2,5-diaza-bicyclo[2.2.1]heptane 2cf3cooh
5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one
N,N-bis(2-methylpropyl)carbamodithioate,nickel(2+)
2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenylmercury acetate
6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium acetate
2-Iodo-3,6-dimethoxy-2,4,6-tri-i-propyl-1,1-biphenyl
Ternstroside A
A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 2. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
Ternstroside C
A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 3. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
Ternstroside D
A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
4-O-methylrobinetinidol 3-O-beta-D-glucopyranoside
A monosaccharide derivative that is 4-O-methylrobinetinidol attached to a beta-D-glucopyranosyl residue at position 3. Isolated from Acacia mearnsii, it exhibits inhibitory activity against alpha-amylase.
4-[(2S)-2-hydroxy-3-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butoxy]-7-furo[3,2-g][1]benzopyranone
Esaxerenone
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
3-[[4-(4-Fluorophenoxy)benzenesulfonyl]-(1-hydroxycarbamoylcyclopentyl)amino]propionic acid
[(1aS)-6alpha-Benzoyloxy-1a,1balpha,2,5aalpha,6,6abeta-hexahydro-1a-hydroxymethyloxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-D-glucopyranoside
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
Phosphonooxy-[(10e)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-Tetraenyl]sulfanyl-Phosphinic Acid
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
N-[[1-(beta-D-Glucopyranosyl)-1H-indole-3-yl]acetyl]-L-glutamic acid
6-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
N-[(4-chlorophenyl)methyl]-2-[(1S,4S,6E,12R)-3,10-dioxo-2-oxa-11-azatricyclo[10.7.0.013,18]nonadeca-6,13,15,17-tetraen-4-yl]acetamide
2,3-bis(2-furanyl)-N-[4-(4-morpholinyl)phenyl]-6-quinoxalinecarboxamide
5-(2-furanyl)-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
2-(4-benzoylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-furancarboxamide
2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide
N-[9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene]ethanaminium perchlorate
gammaGluCys(4MeOI3M)Gly
A tripeptide that is glutathione in which the side-chain thiol group of the cysteine residue is substituted by a 4-methoxyindol-3-ylmethyl group.
[2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
[3-Acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
4-[2-Hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
N-[(3-fluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
6-[3,5-Dihydroxy-4-[2-hydroxy-3-(3-methoxyphenyl)propyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3-(4-Hydroxy-3-methoxyphenyl)-1-[2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one
4-(2,8-Dimethylimidazo[1,2-a]pyridine-3-carbonyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
L-gamma-glutamyl-S-[N-hydroxy-6-(methylsulfanyl)hexanimidoyl]-L-cysteinylglycine
3,4,5-Trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one
(3S,4aS,5S)-6-chloro-3-(dimethylamino)-1,5,9,10,11a-pentahydroxy-5-methyl-2,11-dioxo-3,3a,4,4a-tetrahydrocyclopenta[b]anthracene-1-carboxamide
S-(6-methylthiohexylhydroximoyl)glutathione
An S-substituted glutathione in which the thiol hydrogen of glutathoine has been replaced by a 6-methylthiohexylhydroximoyl group.
1-(2,6-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
(2-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-dimethoxybenzoate
(2s)-2-amino-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-{[(4-methoxy-1h-indol-3-yl)methyl]sulfanyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
[(1s,4ar,5s,7as)-5-hydroxy-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
2-{[2-({[2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5h-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-3-hydroxypropanoic acid
6,8-dihydroxy-3-methyl-1-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetraphene-7,12-dione
[(2s,4s,5s,10s)-5-hydroxy-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl benzoate
(2r)-5,7-dihydroxy-2-[(2s,3s)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-4-yl]-2,3-dihydro-1-benzopyran-4-one
5-(2,5-dihydroxy-4-{3-[hydroxy(phenyl)methyl]oxiran-2-yl}-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-2,3,4-triol
methyl (5e)-7-[(1e,2r)-2-(acetyloxy)-4-bromo-2-[(2z)-oct-2-en-1-yl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
(2s,3r,4s,5s,6r)-2-{[(2r,3s)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
18-methoxy-13,14-dimethyl-19,20-dioxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4(21),5(9),10,15,17-pentaen-12-yl 2-methylbut-2-enoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl]methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
(2r,3r)-3-ethyl-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
2-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-[5-(3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)-3-hydroxy-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-(4-hydroxy-3-methoxyphenyl)-3,7,12-trimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
(2r,2as,4ar,7r,7as,7br)-3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1h,2h,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
[(1s,4ar,5r,7ar)-4a,5-dihydroxy-1-{[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,7ah-cyclopenta[c]pyran-7-yl]methyl benzoate
1-{2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl]phenyl}-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
9-[(2r)-3-hydroxy-3-methyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy]furo[3,2-g]chromen-7-one
(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-3,7,12-trimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
4-({4'-hydroxy-3-[2-(4-hydroxyphenyl)ethynyl]-[1,1'-biphenyl]-2-yl}(phenyl)methylidene)cyclohexa-2,5-dien-1-one
(2s)-2-{[(2r)-2-({[(4r)-2-(6-chloro-4-hydroxy-1-methylindol-3-yl)-4-methyl-5h-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-3-hydroxypropanoic acid
3-hydroxy-2,5-dimethylphenyl 3-(2,4-dihydroxy-3,6-dimethylbenzoyloxy)-6-hydroxy-2,4-dimethylbenzoate
(2s)-5,7-dihydroxy-2-[(2r,3r)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-4-yl]-2,3-dihydro-1-benzopyran-4-one
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-hydroxy-2,6-dimethoxybenzoate
[(1s,2s,4s,5s,6r,10s)-5-hydroxy-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl benzoate
1'-o-β-d-(3,4-dihydroxyphenyl)-ethyl-6'-o-vanilloyl-glucopyranoside
{"Ingredient_id": "HBIN002846","Ingredient_name": "1'-o-\u03b2-d-(3,4-dihydroxyphenyl)-ethyl-6'-o-vanilloyl-glucopyranoside","Alias": "NA","Ingredient_formula": "C22H26O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6084","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r*,3s*)-3-hydroxymethyl-9-methoxy-2-(4'-hydroxy-3',5'-dimethoxyphenyl)-2,3,6,7-tetrahydrophenanthro[4,3-b]furan-5,11-diol
{"Ingredient_id": "HBIN006472","Ingredient_name": "(2r*,3s*)-3-hydroxymethyl-9-methoxy-2-(4'-hydroxy-3',5'-dimethoxyphenyl)-2,3,6,7-tetrahydrophenanthro[4,3-b]furan-5,11-diol","Alias": "NA","Ingredient_formula": "C26H26O8","Ingredient_Smile": "COC1=CC(=C2C(=C1)CCC3=C(C=C4C(C(OC4=C32)C5=CC(=C(C(=C5)OC)O)OC)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10503","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4'-o-methyl leucopelargonidin-3-mono-glucofuranoside
{"Ingredient_id": "HBIN010787","Ingredient_name": "4'-o-methyl leucopelargonidin-3-mono-glucofuranoside","Alias": "4'-o-methyl leucopelargonidin-3-mono-gluco-furanoside","Ingredient_formula": "C22H26O11","Ingredient_Smile": "COC1=CC=C(C=C1)C2C(C(C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(O4)C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31650;14545","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-o-methyl leucopelargonidin-3-mono-glucofuranoside
{"Ingredient_id": "HBIN013411","Ingredient_name": "7-o-methyl leucopelargonidin-3-mono-glucofuranoside","Alias": "7-o-methyl leucopelargonidin-3-mono-gluco-furanoside","Ingredient_formula": "C22H26O11","Ingredient_Smile": "COC1=CC(=C2C(C(C(OC2=C1)C3=CC=C(C=C3)O)OC4C(C(C(O4)C(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31651;14544","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}