Exact Mass: 476.1859742

2-Methoxyestrone 3-glucuronide

3,4,5-trihydroxy-6-{[(1S,10R,11S,15S)-4-methoxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl]oxy}oxane-2-carboxylic acid

2-Methoxyestrone 3-glucuronide belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton. Thus, 2-methoxyestrone 3-glucuronide is considered to be a steroid conjugate lipid molecule. 2-Methoxyestrone 3-glucuronide is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-Methoxyestrone 3-glucuronide is a natural human metabolite of 2-methoxyestrone generated in the liver by UDP glucuronosyltransferase. 2-Methoxyestrone is a metabolite of 2-hydroxyestrone (a nonuterotrophic metabolite of estradiol). Glucuronidation is used to assist in the excretion of toxic substances, drugs, or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 2-Methoxyestrone 3-glucuronide is a natural human metabolite of 2-Methoxyestrone generated in the liver by UDP glucuonyltransferase. A glucuronide conjugate of 2-methodxyestrone formed by UDP-glucuronylstransferase (UTP). 2-methoxyestrone is a metabolite of 2-hydroxyestrone (a nonuterotrophic metabolite of estradiol) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate

1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoic acid

C28H28O7 (476.1834938)

1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate is found in herbs and spices. 1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). 1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl benzoate is found in herbs and spices.

Vemlidy

L-Alanine, N-((S)-(((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)phenoxyphosphinyl)-, 1-methylethyl ester

C21H29N6O5P (476.1936954)

lytanthosalin

Isoscrophularioside

C17H28N6O10 (476.18668279999997)

Matteucinol 7-O-glucoside

(S) -2,3-Dihydro-7- (beta-D-glucopyranosyloxy) -5-hydroxy-2- (4-methoxyphenyl) -6,8-dimethyl-4H-1-benzopyran-4-one

C18H28N4O11 (476.1754498)

Gly Asp Ala Asn Thr

C24H28O10_Spiro[furan-3(2H),1(4H)-naphthalene]-4a,5(5H)-dicarboxylic acid, 6-(acetyloxy)-5-(3-furanyl)-4,5,6,7,8,8a-hexahydro-5-hydroxy-2-methyl-2-oxo-, dimethyl ester

NCGC00385411-01_C24H28O10_Spiro[furan-3(2H),1(4H)-naphthalene]-4a,5(5H)-dicarboxylic acid, 6-(acetyloxy)-5-(3-furanyl)-4,5,6,7,8,8a-hexahydro-5-hydroxy-2-methyl-2-oxo-, dimethyl ester

C21H32O12_Butanoic acid, 3-methyl-, (1aS,1bS,5S,5aS,6S,6aS)-2-[(beta-D-glucopyranosyloxy)methyl]-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)oxireno[3,4]cyclopenta[1,2-c]pyran-5-yl ester

NCGC00384998-01_C21H32O12_Butanoic acid, 3-methyl-, (1aS,1bS,5S,5aS,6S,6aS)-2-[(beta-D-glucopyranosyloxy)methyl]-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)oxireno[3,4]cyclopenta[1,2-c]pyran-5-yl ester

[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate

[(1aS,1bS,5S,5aS,6S)-6-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1b,5,5a,6a-tetrahydro-1aH-oxireno[3,4]cyclopenta[1,3-d]pyran-5-yl] 3-methylbutanoate

platyphylloside

1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl ?-D-glucopyranoside

1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one [IIN-based: Match]

NCGC00179791-03!1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one [IIN-based: Match]

1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one [IIN-based on: CCMSLIB00000845973]

NCGC00179791-03!1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one [IIN-based on: CCMSLIB00000845973]

2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide

C18H32CaN2O10 (476.16827620000004)

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

(+)-pantothenic acid calcium salt

Tenofovir alafenamide

propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate

C21H29N6O5P (476.1936954)

J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

agrimonolide-6-O-glucopyranoside

C18H32CaN2O10 (476.16827620000004)

Calcium DL-Pantothenate

dl-pantothenic acid calcium salt

H-Arg(Pbf)-OMe hydrochloride

C20H33ClN4O5S (476.1860078000001)

(2R)-2-[4-[(4-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-N-[(4S)-7-cyano-3,4-dihydro-2H-chromen-4-yl]pyrrolidine-1-carboxamide

C25H25ClN6O2 (476.17274199999997)

tantalum (v) isopropoxide

C15H35O5Ta (476.19645)

C25H25ClN6O2

C25H25ClN6O2 (476.17274199999997)

1H-Pyrazolo(4,3-d)pyrimidine-3-carboxamide, 1-(2-ethoxyethyl)-5-(ethylmethylamino)-7-((4-methyl-2-pyridinyl)amino)-N-(methylsulfonyl)

C20H28N8O4S (476.19541280000004)

Gutolactone

C22H28N4O6S (476.17294680000003)

A quassinoid isolated from Simaba guianensis and has been shown to exhibit antimalarial activity.

1-[(6-Hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester

N-{[2-({[1-(4-Carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine

C23H29N2O7P (476.1712294)

Calcium Pantothenate

C18H32CaN2O10 (476.16827620000004)

D - Dermatologicals > D03 - Preparations for treatment of wounds and ulcers > D03A - Cicatrizants A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins

METHYLDOPA SESQUIHYDRATE

C20H32N2O11 (476.20060019999994)

D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist

4-methoxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid

Tryptoquialanol

C25H24N4O6 (476.1695764)

(2R)-3-[(9S, 9aR)-9-hydroxy-2,2-dimethyl-3-oxo-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-9-yl]-2-(2-acetyl-4-oxo-3,4-dihydroquinazolin-3-yl)propanoic acid

C25H24N4O6 (476.1695764)

Norcaesalpinin D

A diterpenoid isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.

2-(2-Furanyl)-4-quinolinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester

C25H24N4O6 (476.1695764)

Loniphenyruviridoside A, (rel)-

A steroid glucosiduronic acid that is 2-methoxyestrone having a single beta-D-glucuronic acid residue attached at position 3.

Methoxyestrone glucuronide

ST 18:5;O4;GlcA

ST 19:5;O4;Hex

C21H32O10S (476.17160920000003)

ST 21:2;O7;S

ST 25:6;O4;S

C25H32O7S (476.1868642)

MT-7716 hydrochloride

C27H29ClN4O2 (476.1978924)

(1r,5r,6s,8s,9s,10s,13s,14r,15s)-8-hydroxy-5-{[(2r,3s)-3-hydroxy-2-methylbutanoyl]oxy}-10-methyl-11-oxo-4,12-dioxapentacyclo[7.7.0.0¹,⁶.0²,¹³.0¹⁰,¹⁵]hexadec-2-en-14-yl (2z)-2-methylbut-2-enoate

(3as,4s,5s,5ar,6s,7s,9as,9bs)-6,7-dihydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate

(3as,4s,5s,5ar,6s,7s,9as,9bs)-6,7-dihydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate

(3as,4s,5s,5ar,6s,7s,9as,9bs)-6,7-dihydroxy-5a,9-dimethyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate

2-(4-allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (r,s)-form,3,4-methylene,3',5'-di-me ether,benzoyl

C28H28O7 (476.1834938)

{"Ingredient_id": "HBIN004285","Ingredient_name": "2-(4-allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (r*,s*)-form,3,4-methylene,3',5'-di-me ether,benzoyl","Alias": "NA","Ingredient_formula": "C28H28O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9059","PubChem_id": "NA","DrugBank_id": "NA"}

(2R,3R,4S,5R,6S)-3-isopropyl-2-methylol-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol; 134515-66-5; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol

{"Ingredient_id": "HBIN006433","Ingredient_name": "(2R,3R,4S,5R,6S)-3-isopropyl-2-methylol-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol","Alias": "(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol; 134515-66-5; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-3-isopropyl-6-(phenoxy)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)-3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-triol","Ingredient_formula": "C21H32O12","Ingredient_Smile": "CC(C)C1(C(OC(C(C1O)(O)OC2C(C(C(C(O2)CO)O)O)O)OC3=CC=CC=C3)CO)O","Ingredient_weight": "476.47","OB_score": "3.006463945","CAS_id": "134515-66-5","SymMap_id": "SMIT10107","TCMID_id": "NA","TCMSP_id": "MOL008896","TCM_ID_id": "NA","PubChem_id": "179289","DrugBank_id": "NA"}

agrimonolide-6-o-β-d-glucopyranoside

MolPort-035-705-790; Aglimonolide 6-O-beta-D-glucoside; (3S)-8-HYDROXY-3-[2-(4-METHOXYPHENYL)ETHYL]-6-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-2-BENZOPYRAN-1-ONE; Agrimonolide-6-O-glucopyranoside; Agrimonolide-6-O-beta-D-glucopyranoside; (3S)-8-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one; DTXSID20155122; BG01759949; agrimonolide-6-o-beta-d-glucopyranoside; 1H-2-Benzopyran-1-one, 6-(beta-D-glucopyranosyloxy)-3,4-dihydro-8-hydroxy-3-(2-(4-methoxyphenyl)ethyl)-, (S)-; AC1L2Y67; W1312; C24H28O10; AKOS032948205; Agrimonolide 6-O-glucoside; ZINC31417663; A-6-GP; 126223-29-8