Exact Mass: 346.131
Exact Mass Matches: 346.131
Found 213 metabolites which its exact mass value is equals to given mass value 346.131,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Aucubin
Aucubin is found in common verbena. Aucubin is a monoterpenoid based compound. Aucubin, like all iridoids, has a cyclopentan-[C]-pyran skeleton. Iridoids can consist of ten, nine, or rarely eight carbons in which C11 is more frequently missing than C10. Aucubin has 10 carbons with the C11 carbon missing. The stereochemical configurations at C5 and C9 lead to cis fused rings, which are common to all iridoids containing carbocylclic- or seco-skeleton in non-rearranged form. Oxidative cleavage at C7-C8 bond affords secoiridoids. The last steps in the biosynthesis of iridoids usually consist of O-glycosylation and O-alkylation. Aucubin, a glycoside iridoid, has an O-linked glucose moiety. Aucubin is an iridoid glycoside. Iridoids are commonly found in plants and function as defensive compounds. Irioids decrease the growth rates of many generalist herbivores. Aucubin is found in the leaves of Aucuba japonica (Cornaceae), Eucommia ulmoides (Eucommiaceae), and Plantago asiatic (Plantaginaceae), etc, plants used in traditional Chinese and folk medicine. Aucubin was found to protect against liver damage induced by carbon tetrachloride or alpha-amanitin in mice and rats when 80 mg/kg was dosed intraperitoneally. Geranyl pyrophosphate is the precursor for iridoids. Geranyl phosphate is generated through the mevalonate pathway or the methylerythritol phosphate pathway. The initial steps of the pathway involve the fusion of three molecules of acetyl-CoA to produce the C6 compound 3-hydroxy-3-methylglutaryl-CoA (HMG-CoA). HMG-CoA is then reduced in two steps by the enzyme HMG-CoA reductase. The resulting mevalonate is then sequentially phosphorylated by two separate kinases, mevalonate kinase and phosphomevalonate kinase, to form 5-pyrophosphomevalonate. Phosphosphomevalonate decarboxylase through a concerted decarboxylation reaction affords isopentenyl pyrophosphate (IPP). IPP is the basic C5 building block that is added to prenyl phosphate cosubstrates to form longer chains. IPP is isomerized to the allylic ester dimethylallyl pyrophosphate (DMAPP) by IPP isomerase. Through a multistep process, including the dephosphorylation DMAPP, IPP and DMAPP are combinded to from the C10 compound geranyl pyrophosphate (GPP). Geranyl pyrophosphate is a major branch point for terpenoid synthesis. The cyclizaton reaction to form the iridoid pyrane ring may result from one of two routes: route 1 - a hydride nucleophillic attack on C1 will lead to 1-O-carbonyl atom attack on C3, yielding the lactone ring; route 2 - loss of proton from carbon 4 leads to the formation of a double bond C3-C4; consequently the 3-0-carbonyl atom will attach to C1 Aucubin is a monoterpenoid based compound. Aucubin, like all iridoids, has a cyclopentan-[C]-pyran skeleton. Iridoids can consist of ten, nine, or rarely eight carbons in which C11 is more frequently missing than C10. Aucubin has 10 carbons with the C11 carbon missing. The stereochemical configurations at C5 and C9 lead to cis fused rings, which are common to all iridoids containing carbocylclic- or seco-skeleton in non-rearranged form. Oxidative cleavage at C7-C8 bond affords secoiridoids. The last steps in the biosynthesis of iridoids usually consist of O-glycosylation and O-alkylation. Aucubin, a glycoside iridoid, has an O-linked glucose moiety.; Aucubin is an iridoid glycoside. Iridoids are commonly found in plants and function as defensive compounds. Irioids decrease the growth rates of many generalist herbivores. Aucubin is found in the leaves of Aucuba japonica (Cornaceae), Eucommia ulmoides (Eucommiaceae), and Plantago asiatic (Plantaginaceae), etc, plants used in traditional Chinese and folk medicine. Aucubin was found to protect against liver damage induced by carbon tetrachloride or alpha-amanitin in mice and rats when 80 mg/kg was dosed intraperitoneally.; Geranyl pyrophosphate is the precursor for iridoids. Geranyl phosphate is generated through the mevalonate pathway or the methylerythritol phosphate pathway. The initial steps of the pathway involve the fusion of three molecules of acetyl-CoA to produce the C6 compound 3-hydroxy-3-methylglutaryl-CoA (HMG-CoA). HMG-CoA is then reduced in two steps by the enzyme HMG-CoA reductase. The resulting mevalonate is then sequentially phosphorylated by two separate kinases, mevalonate kinase and phosphomevalonate kinase, to form 5-pyrophosphomevalonate. Phosphosphomevalonate decarboxylase through a concerted decarboxylation reaction affords isopentenyl pyrophosphate (IPP). IPP is the basic C5 building block that is added to prenyl phosphate cosubstrates to form longer chains. IPP is isomerized to the allylic ester dimethylallyl pyrophosphate (DMAPP) by IPP isomerase. Through a multistep process, including the dephosphorylation DMAPP, IPP and DMAPP are combinded to from the C10 compound geranyl pyrophosphate (GPP). Geranyl pyrophosphate is a major branch point for terpenoid synthesis.; The cyclizaton reaction to form the iridoid pyrane ring may result from one of two routes: route 1 - a hydride nucleophillic attack on C1 will lead to 1-O-carbonyl atom attack on C3, yielding the lactone ring; route 2 - loss of proton from carbon 4 leads to the formation of a double bond C3-C4; consequently the 3-0-carbonyl atom will attach to C1. Aucubin is an organic molecular entity. It has a role as a metabolite. Aucubin is a natural product found in Verbascum lychnitis, Plantago media, and other organisms with data available. See also: Chaste tree fruit (part of); Rehmannia glutinosa Root (part of); Plantago ovata seed (part of). Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3]. Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3].
3,4,5-Trimethoxyphenyl glucoside
3,4,5-Trimethoxyphenyl glucoside is a constituent of Quillaja saponaria (soap-bark tree). Constituent of Quillaja saponaria (soap-bark tree)
Mytilin B
Mytilin B is found in mollusks. Mytilin B is isolated from the edible mussel Mytilus galloprovincialis as a 1:3 inseparable mixture with Mytilin A
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Di-O-methylcrenatin
Di-O-methylcrenatin is found in herbs and spices. Di-O-methylcrenatin is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). Di-O-methylcrenatin is found in herbs and spices.
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside is found in herbs and spices. 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside is found in herbs and spices.
2-(4-Methylphenoxy)-7-(4-chlorophenyl)heptanoic acid
Beclobrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Chlorproethazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002491 - Central Nervous System Agents
Dihydrorhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
Flutrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
Chlorproethazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002491 - Central Nervous System Agents
2,3-O-Isopropylidene,1,4,5-tri-Ac-beta-D-Tagatose,,
Aucubin
Aucubin is an organic molecular entity. It has a role as a metabolite. Aucubin is a natural product found in Verbascum lychnitis, Plantago media, and other organisms with data available. See also: Chaste tree fruit (part of); Rehmannia glutinosa Root (part of); Plantago ovata seed (part of). Origin: Plant; SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids; Origin: Plant Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3]. Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3].
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
A monosaccharide derivative that consists of 4-(hydroxymethyl)-2,6-dimethoxyphenol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Acacia mearnsii it exhibits cytotoxic activity.
3-hydroxy-4,5-dimethoxybenzyl beta-D-glucopyranoside|3-O-demethylnikoenoside
flutrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Dihydrorhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
C15H22O9_beta-D-Glucopyranoside, (4-hydroxy-3,5-dimethoxyphenyl)methyl
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol [IIN-based: Match]
2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_73.4\\%
Ala Cys Gly Pro
Ala Cys Pro Gly
Ala Gly Cys Pro
Ala Gly Pro Cys
Ala Pro Cys Gly
Ala Pro Gly Cys
Cys Ala Gly Pro
Cys Ala Pro Gly
Cys Gly Ala Pro
Cys Gly Pro Ala
Cys Pro Ala Gly
Cys Pro Gly Ala
Gly Ala Cys Pro
Gly Ala Pro Cys
Gly Cys Ala Pro
Gly Cys Pro Ala
Gly Pro Ala Cys
Gly Pro Cys Ala
Pro Ala Cys Gly
Pro Ala Gly Cys
Pro Cys Ala Gly
Pro Cys Gly Ala
Pro Gly Ala Cys
Pro Gly Cys Ala
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside
N-(5-FORMYL-2-METHYLPHENYL)-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE
4-benzyloxy-2-chloropyrimidine-5-boronic acid pinacol ester
Glycine, N,N-1,2-cyclohexanediylbis[N-(carboxymethyl)-
D064449 - Sequestering Agents > D002614 - Chelating Agents
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-aminooxan-2-yl]methyl acetate
spermine tetrahydrochloride
Spermine tetrahydrochloride is an endogenous metabolite. Spermine tetrahydrochloride is an endogenous metabolite.
Alloclamide hydrochloride
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
2,6-Anhydro-3-deoxy-D-manno-heptitol 1,4,5,7-tetraacetate
2,6-Anhydro-3-deoxy-D-gluco-heptitol 1,4,5,7-tetraacetate
(2R,3S)-2-{[(1Z)-3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino}-3-hydroxybutanoic acid
2-(5-Benzyl-4-methyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-hexanoic acid
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine
(2R,3S)-2-[[3-(carboxymethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxybutanoic acid
2-[(3-Ethyl-4-oxo-2-quinazolinyl)thio]acetic acid cyclohexyl ester
2-(2-amino-4H-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioic acid diethyl ester
(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one
2-[[(4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Beclobrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside
2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2s,4s,6r,10s)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol
(2s,3r,4s,5r,6r)-2-{[(1s,4as,5r,7as)-5-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-7-carboxylic acid
(2s,3r,4s,5s,6r)-2-{5-[(1r)-1,2-dihydroxyethyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
2-{[2-(2,5-dihydroxycyclopentyl)furan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3s)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-6-sulfanylidenepiperazine-2,5-dione
(2s,3r,4r,5r,6s)-2-{[(1s,5s,6r,10s)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-methyloxane-3,4,5-triol
2-(hydroxymethyl)-6-{[2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,7ar)-5-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r)-2-{[(5r)-3-[(carboxymethyl)imino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}-3-hydroxybutanoic acid
4-hydroxy-3,5-dimethoxybenzyl alcohol 4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN010465","Ingredient_name": "4-hydroxy-3,5-dimethoxybenzyl alcohol 4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10013","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxymethyl-2,6-dimethoxyphenyl-β-D-glucopyranoside
{"Ingredient_id": "HBIN010552","Ingredient_name": "4-hydroxymethyl-2,6-dimethoxyphenyl-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41089","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-deoxycatalpol
{"Ingredient_id": "HBIN012316","Ingredient_name": "6-deoxycatalpol","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "C1C2C=COC(C2C3(C1O3)CO)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "346.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14991","TCMID_id": "5158","TCMSP_id": "NA","TCM_ID_id": "7575","PubChem_id": "129011855","DrugBank_id": "NA"}
8-epi-grandifloricacid
{"Ingredient_id": "HBIN013719","Ingredient_name": "8-epi-grandifloricacid","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "C1CC(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O","Ingredient_weight": "346.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6926","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6325299","DrugBank_id": "NA"}
