Exact Mass: 440.22304280000003
Exact Mass Matches: 440.22304280000003
Found 500 metabolites which its exact mass value is equals to given mass value 440.22304280000003
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tirofiban
C22H36N2O5S (440.23448060000004)
Tirofiban prevents the blood from clotting during episodes of chest pain or a heart attack, or while the patient is undergoing a procedure to treat a blocked coronary artery. It is a non-peptide reversible antagonist of the platelet glycoprotein (GP) IIb/IIIa receptor, and inhibits platelet aggregation. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3'-Hydroxy-HT2 toxin
3-Hydroxy-HT2 toxin is a mycotoxin from Fusarium heterosporu Mycotoxin from Fusarium heterosporum
4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
3-[2-[[(1S,2R,3S)-3-[4-(Pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
Ceranapril
C21H33N2O6P (440.20761280000005)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Nemiralisib
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C78273 - Agent Affecting Respiratory System
5,7-Dihydroxy-4-methoxy-8-C-prenyl-3-(3-hydroxy-3-methylbutyl)flavanone
3-Geranyl-3,4,2,4-tetrahydroxy-6-methoxydihydrochalcone
3,2,4,6-Tetrahydroxy-4-methoxy-3,5-diprenyldihydrochalcone
linalool-beta-D-glucopyranoside-2O-acetate,6O-tiglate
1-[(2,2-Dimethyl-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran)-6-yl]-3-[3-hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-1-propanone
cis-1-(2,4,5-trimethoxy-E-styryl)-2-(2,4,5-trimethoxy-Z-styryl)cyclobutane|trans-1-(2,4,5-trimethoxy-E-styryl)-2-(2,4,5-trimethoxy-Z-styryl)cyclobutane
methyl-[O2,O4-dimethyl-O6-(tetra-O-methyl-beta-D-galactopyranosyl)-xi-D-galactopyranoside]|Methyl-[O2,O4-dimethyl-O6-(tetra-O-methyl-beta-D-galactopyranosyl)-xi-D-galactopyranosid]
C19H36O11 (440.22575059999997)
(3S,4R)-4-([(1S,4aR,6S,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylidenenaphthalen-1-yl]-methoxy)-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid|cryptoporic acid J
(9R,9aR)-9-hydroxy-9a-methyl-3-octanoyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol C
9-hydroxy-1-methoxy-8-(3-hydroxy-3-methylbutyl)-6,6-dimethyl-4,5-dihydro-[6H]-pyrano[2,3:3,2]-pterocarpan|glycycarpan
(3alpha,4beta,8alpha)-4-(acetyloxy)-3-(2,3-dihydroxy-2-methyl-1-oxobutoxy)-8-hydroxyeudesm-7(11)-eno-12,8-lactone|rel-(4aR,5S,6R,8aR,9aS)-5-(acetyloxy)-9a-hydroxy-3,5,8a-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl 2,3-dihydroxy-2-methylbutanoate
6-hydroxy-8-(2-hydroxy-4-methoxy-6-pentylphenoxy)-3-pentylisochromen-1-one
2(S)-5,7,4-trihydroxy-6-methyl-3-[7-hydroxy-3,7-dimethyl-2(E)-octenyl]flavanone|hirtellanine G
6-Me ether-3-(3,4-Dihydroxyphenyl)-1-[3-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-1-propanone
6-Deoxy-2-O-alpha-L-rhamnopyranosyl-L-talose-Benzyl glycoside, 3,4-O-isopropylidene
3-Ketone-(3alpha,5alpha,9alpha,10beta)-7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin
(1S,4aS,8aR)-7-[(decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl)methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one
7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-4-(1-hydroxypropyl)-8-(1-oxobutyl)-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one|kayeassamin I
Ala His Val Asp
His Ala Val Asp
C27H28N4O2_(3S,6S)-3-(1H-Indol-3-ylmethyl)-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione
C19H36O11_beta-D-Glucopyranoside, 3-ethyl-4-hydroxy-4-methylpentyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]
C19H36O11 (440.22575059999997)
Ala Asp His Val
Ala Asp Val His
Ala Phe Phe Gly
Ala Phe Gly Phe
Ala Gly Phe Phe
Ala His Asp Val
Ala His Ile Thr
Ala His Leu Thr
Ala His Thr Ile
Ala His Thr Leu
Ala Ile His Thr
Ala Ile Thr His
Ala Leu His Thr
Ala Leu Thr His
Ala Thr His Ile
Ala Thr His Leu
Ala Thr Ile His
Ala Thr Leu His
Ala Val Asp His
Ala Val His Asp
Asp Ala His Val
Asp Ala Val His
Asp Gly His Ile
Asp Gly His Leu
Asp Gly Ile His
Asp Gly Leu His
Asp His Ala Val
Asp His Gly Ile
Asp His Gly Leu
Asp His Ile Gly
Asp His Leu Gly
Asp His Val Ala
Asp Ile Gly His
Asp Ile His Gly
Asp Ile Pro Pro
C20H32N4O7 (440.22708819999997)
Asp Leu Gly His
Asp Leu His Gly
Asp Leu Pro Pro
C20H32N4O7 (440.22708819999997)
Asp Pro Ile Pro
C20H32N4O7 (440.22708819999997)
Asp Pro Leu Pro
C20H32N4O7 (440.22708819999997)
Asp Pro Pro Ile
C20H32N4O7 (440.22708819999997)
Asp Pro Pro Leu
C20H32N4O7 (440.22708819999997)
Asp Val Ala His
Asp Val His Ala
Glu Gly His Val
Glu Gly Val His
Glu His Gly Val
Glu His Val Gly
Glu Pro Pro Val
C20H32N4O7 (440.22708819999997)
Glu Pro Val Pro
C20H32N4O7 (440.22708819999997)
Glu Val Gly His
Glu Val His Gly
Glu Val Pro Pro
C20H32N4O7 (440.22708819999997)
Phe Ala Phe Gly
Phe Ala Gly Phe
Phe Phe Ala Gly
Phe Phe Gly Ala
Phe Gly Ala Phe
Phe Gly Phe Ala
Gly Ala Phe Phe
Gly Asp His Ile
Gly Asp His Leu
Gly Asp Ile His
Gly Asp Leu His
Gly Glu His Val
Gly Glu Val His
Gly Phe Ala Phe
Gly Phe Phe Ala
Gly His Asp Ile
Gly His Asp Leu
Gly His Glu Val
Gly His Ile Asp
Gly His Leu Asp
Gly His Val Glu
Gly Ile Asp His
Gly Ile His Asp
Gly Leu Asp His
Gly Leu His Asp
Gly Val Glu His
Gly Val His Glu
His Ala Ile Thr
His Ala Leu Thr
His Ala Thr Ile
His Ala Thr Leu
His Ile Ala Thr
His Ile Thr Ala
His Leu Ala Thr
His Leu Thr Ala
His Ser Val Val
His Thr Ala Ile
His Thr Ala Leu
His Thr Ile Ala
His Thr Leu Ala
His Val Ser Val
His Val Val Ser
Ile Ala His Thr
Ile Ala Thr His
Ile Asp Pro Pro
C20H32N4O7 (440.22708819999997)
Ile His Ala Thr
Ile His Thr Ala
Ile Pro Asp Pro
C20H32N4O7 (440.22708819999997)
Ile Pro Pro Asp
C20H32N4O7 (440.22708819999997)
Ile Thr Ala His
Ile Thr His Ala
Leu Ala His Thr
Leu Ala Thr His
Leu Asp Pro Pro
C20H32N4O7 (440.22708819999997)
Leu His Ala Thr
Leu His Thr Ala
Leu Pro Asp Pro
C20H32N4O7 (440.22708819999997)
Leu Pro Pro Asp
C20H32N4O7 (440.22708819999997)
Leu Thr Ala His
Leu Thr His Ala
Met Pro Pro Pro
Pro Asp Ile Pro
C20H32N4O7 (440.22708819999997)
Pro Asp Leu Pro
C20H32N4O7 (440.22708819999997)
Pro Asp Pro Ile
C20H32N4O7 (440.22708819999997)
Pro Asp Pro Leu
C20H32N4O7 (440.22708819999997)
Pro Glu Pro Val
C20H32N4O7 (440.22708819999997)
Pro Glu Val Pro
C20H32N4O7 (440.22708819999997)
Pro Ile Asp Pro
C20H32N4O7 (440.22708819999997)
Pro Ile Pro Asp
C20H32N4O7 (440.22708819999997)
Pro Leu Asp Pro
C20H32N4O7 (440.22708819999997)
Pro Leu Pro Asp
C20H32N4O7 (440.22708819999997)
Pro Met Pro Pro
Pro Pro Asp Ile
C20H32N4O7 (440.22708819999997)
Pro Pro Asp Leu
C20H32N4O7 (440.22708819999997)
Pro Pro Glu Val
C20H32N4O7 (440.22708819999997)
Pro Pro Ile Asp
C20H32N4O7 (440.22708819999997)
Pro Pro Leu Asp
C20H32N4O7 (440.22708819999997)
Pro Pro Met Pro
Pro Pro Pro Met
Pro Pro Val Glu
C20H32N4O7 (440.22708819999997)
Pro Val Glu Pro
C20H32N4O7 (440.22708819999997)
Pro Val Pro Glu
C20H32N4O7 (440.22708819999997)
Ser His Val Val
Ser Val His Val
Ser Val Val His
Thr Ala His Ile
Thr Ala His Leu
Thr Ala Ile His
Thr Ala Leu His
Thr His Ala Ile
Thr His Ala Leu
Thr His Ile Ala
Thr His Leu Ala
Thr Ile Ala His
Thr Ile His Ala
Thr Leu Ala His
Thr Leu His Ala
Val Glu Pro Pro
C20H32N4O7 (440.22708819999997)
Val His Gly Glu
Val His Ser Val
Val His Val Ser
Val Pro Glu Pro
C20H32N4O7 (440.22708819999997)
Val Pro Pro Glu
C20H32N4O7 (440.22708819999997)
Val Ser His Val
Val Ser Val His
Val Val His Ser
Val Val Ser His
TC3 Toxin
1-(2-(DI-TERT-BUTYLPHOSPHINO)PHENYL)-3,5-DIPHENYL-1H-PYRAZOLE
C29H33N2P (440.23812280000004)
Ifetroban
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
Ceronapril
C21H33N2O6P (440.20761280000005)
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
Benzyl 7-(diphenylmethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbo xylate
C28H28N2O3 (440.20998180000004)
3,5-BIS[2-(BOC-AMINO)ETHOXY]-BENZOIC ACID
C21H32N2O8 (440.21585519999996)
BIX 02189
BIX02189 is a potent and selective MEK5 inhibitor with an IC50 of 1.5 nM. BIX02189 also inhibits ERK5 catalytic activity with an IC50 of 59 nM.
Trans-1-[4-(4-heptylcyclohexyl)phenoxy]-2,4-dinitro benzene
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
Flumedroxone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Glycycarpan
A member of the class of pterocarpan that is a cis-pterocarpan substituted by a hydroxy group at position 9, a 3-hydroxy-3-methylbutyl group at position 8, a methoxy group at position 1 and a dimethylpyran ring fused across positions 2 and 3. It has been isolated from Glycyrrhiza uralensis.
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
C28H28N2O3 (440.20998180000004)
Methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic acid-(4-chlorophenyl)-ester
C26H33ClN2O2 (440.22304280000003)
Nemiralisib
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C78273 - Agent Affecting Respiratory System
16-[(2R)-1-hydroxy-3-phosphonooxypropan-2-yl]oxy-16-oxohexadecanoic acid
C19H37O9P (440.21750820000005)
16-[(2R)-2-hydroxy-3-phosphonooxypropoxy]-16-oxohexadecanoic acid
C19H37O9P (440.21750820000005)
Ala-Val-Asp-His
A tetrapeptide composed of L-alanine, L-valine, L-aspartic acid, and L-histidine joined in sequence by peptide linkages.
methyl (1R,9S,10S,11S)-12-(cyclopentylmethyl)-5-(2-fluorophenyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide
3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide
methyl (1R,9S,10S,11S)-12-(cyclohexanecarbonyl)-5-(cyclopenten-1-yl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide
3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide
3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide
3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide
(1S,9R,10R,11R)-12-(cyclohexylmethyl)-5-(4-fluorophenyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
(1R,9S,10S,11S)-12-(cyclohexylmethyl)-5-(4-fluorophenyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
methyl N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylcarbamate
methyl N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylcarbamate
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
methyl N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylcarbamate
methyl N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylcarbamate
methyl N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylcarbamate
methyl (1S,9R,10R,11R)-12-(cyclopentylmethyl)-5-(2-fluorophenyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
methyl N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylcarbamate
methyl N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylcarbamate
1-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-2-hydroxy-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]propan-1-one
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-tridec-9-enoate
C19H37O9P (440.21750820000005)
2-[(2-Hexanoyloxy-3-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Acetyloxy-2-nonanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-octanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(3-Butanoyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Tirofiban
C22H36N2O5S (440.23448060000004)
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7-deacetylgedunin
A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica.
cPA(20:4)
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3-(3,4-dihydroxyphenyl)-1-{3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-methoxyphenyl}propan-1-one
1-(furan-3-yl)-4,6-dihydroxy-3b,9a,11a-trimethyl-9-oxo-1h,2h,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate
(2-hydroxy-1,4a-dimethyl-6-methylidene-5-{[(2-oxochromen-7-yl)oxy]methyl}-hexahydro-2h-naphthalen-1-yl)methyl acetate
6-butanoyl-5-hydroxy-10-(1-hydroxypropyl)-2-methyl-2-(4-methylpent-3-en-1-yl)pyrano[2,3-h]chromen-8-one
7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15-dione
(2r)-2-[(1r,4as,7s,7ar)-4,7-dimethyl-3-(3-methylbutanoyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl acetate
methyl (1r,9r,15r,16s,18r,21r)-2-acetyl-4,15-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
(2s)-2-{4-[(3,6-dimethylhept-2-en-1-yl)oxy]-3-methoxyphenyl}-5-hydroxy-7-methoxy-2,3-dihydro-1-benzopyran-4-one
8-hydroxy-3,7,11-trimethyl-1-[(2-oxochromen-7-yl)oxy]dodeca-2,6,10-trien-5-yl acetate
3-(1h-indol-3-ylmethyl)-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol
[(1r,2r,4ar,5r,8as)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-{[(2-oxochromen-7-yl)oxy]methyl}-hexahydro-2h-naphthalen-1-yl]methyl acetate
methyl 2-[13-(furan-3-yl)-2-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-4,11-dien-9-yl]acetate
(1r,2r,8r,9r,11r,12r,14r,16s,17s)-16-(furan-3-yl)-9-hydroxy-2,7,7,11,17-pentamethyl-6,13-dioxapentacyclo[9.8.0.0²,⁸.0¹²,¹⁴.0¹²,¹⁷]nonadec-3-ene-5,10-dione
(5r,6e,8r,10e)-8-hydroxy-2,6,10-trimethyl-12-[(2-oxochromen-7-yl)oxy]dodeca-2,6,10-trien-5-yl acetate
(3s)-3-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-{[(1s)-1-carboxy-2-(3h-imidazol-4-yl)ethyl]-c-hydroxycarbonimidoyl}propanoic acid
(1s,3s,4s,6r,8s,9s,10s,11r,14r,15r,17r)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0¹,¹¹.0⁴,⁹.0⁶,⁸]heptadecan-17-yl 2-hydroxypropanoate
(16e)-6-(2-amino-4-methylpentanoyl)-14-hydroxy-2-oxa-6,9,15-triazatetracyclo[16.2.2.0³,⁷.0⁹,¹³]docosa-1(20),14,16,18,21-pentaen-8-one
1-[(2s)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-7-yl]-3-(4-methoxyphenyl)propan-1-one
1,2,4-trimethoxy-5-[(1z)-2-[(1s,2r)-2-[(1e)-2-(2,4,5-trimethoxyphenyl)ethenyl]cyclobutyl]ethenyl]benzene
(2e,4e,6e)-8-({2-[(2,3-dihydroxy-3-methylbutanoyl)oxy]-3-methylpentanoyl}oxy)-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
1,2-bis(2,4,5-trimethoxy-z-styryl)cyclobutane
{"Ingredient_id": "HBIN000763","Ingredient_name": "1,2-bis(2,4,5-trimethoxy-z-styryl)cyclobutane","Alias": "NA","Ingredient_formula": "C26H32O6","Ingredient_Smile": "COC1=CC(=C(C=C1C=CC2CCC2C=CC3=CC(=C(C=C3OC)OC)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21916","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
asebotoxin iii
{"Ingredient_id": "HBIN017048","Ingredient_name": "asebotoxin iii","Alias": "NA","Ingredient_formula": "C23H36O8","Ingredient_Smile": "CC(C(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)C5C(C4(C)C)O5)O)O)CC2(C)O)O","Ingredient_weight": "440.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1850","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137117256","DrugBank_id": "NA"}
(2s,3r)-3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-4-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methyl-2h-naphtho[1,2-b]furan-6,9-dione
(1r,3s,4s,6r,9r,17s)-4-(furan-3-yl)-3,9,14,14,18-pentamethyl-7,10,20-trioxahexacyclo[15.2.1.0³,⁸.0⁶,⁸.0⁹,¹⁹.0¹³,¹⁸]icosane-11,15-dione
(9r)-4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9h-anthracen-9-yl decanoate
(2r,3s,4s,5r,6r)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-{[(3r)-3-hydroxyoctyl]oxy}oxane-3,4-diol
C19H36O11 (440.22575059999997)
methyl 2-[(1s,2r,8r,9s,10r,13r)-13-(furan-3-yl)-2-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-4,11-dien-9-yl]acetate
(1s,2r,3r,4s,5r,6s)-2,3,6-trihydroxy-4,5-bis[(2-methylbut-2-enoyl)oxy]cyclohexyl (2e)-3-methylpent-2-enoate
2-[4,7-dimethyl-3-(3-methylbutanoyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl acetate
(5r,6e,8s,10e)-8-hydroxy-2,6,10-trimethyl-12-[(2-oxochromen-7-yl)oxy]dodeca-2,6,10-trien-5-yl acetate
(4ar,4bs,10br,12r,12ar)-12,12a-dihydroxy-8-[(1s)-1-[(1s,2r,4s,6s)-2-hydroxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-4a-methyl-4b,5,6,10b,11,12-hexahydro-1h-chrysen-4-one
(1r,3br,4s,5r,5ar,6s,9ar,9bs,11as)-1-(furan-3-yl)-4,6-dihydroxy-3b,9a,11a-trimethyl-9-oxo-1h,2h,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate
(2e,5s,6e,8r)-8-hydroxy-3,7,11-trimethyl-1-[(2-oxochromen-7-yl)oxy]dodeca-2,6,10-trien-5-yl acetate
(2s,3s,5r,6s)-3-{[(3s)-3-amino-1-hydroxy-5-(n-methylcarbamimidamido)pentylidene]amino}-5-hydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboxylic acid
8-hydroxy-2,6,10-trimethyl-12-[(2-oxochromen-7-yl)oxy]dodeca-2,6,10-trien-5-yl acetate
(3s,6s)-3-(1h-indol-3-ylmethyl)-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol
5,16-dihydroxy-10,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,13,15,17,19-nonaen-11-one
methyl (2z)-2-[(3s,5's,6'r,7's,8'as)-6'-ethyl-2-hydroxy-5'-(2-oxopropyl)-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
16-(furan-3-yl)-9-hydroxy-2,7,7,11,17-pentamethyl-6,13-dioxapentacyclo[9.8.0.0²,⁸.0¹²,¹⁴.0¹²,¹⁷]nonadec-3-ene-5,10-dione
(1r,4r,4ar,7s,8as)-7-hydroxy-4a,8,8-trimethyl-3-methylidene-4-{[(2-oxochromen-7-yl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl acetate
1,2,4-trimethoxy-5-[(1r,6s)-6-[(1e)-2-(2,4,5-trimethoxyphenyl)ethenyl]cyclohex-2-en-1-yl]benzene
(4r)-4-{[(1s,4as,8ar)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid
3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-4-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methyl-2h-naphtho[1,2-b]furan-6,9-dione
3,4-bis(2,4,5-trimethoxyphenyl)cycloocta-1,5-diene
(10s,21s)-5,16-dihydroxy-10,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,13,15,17,19-nonaen-11-one
1,2,4-trimethoxy-5-[(1s,6r)-6-[(1e)-2-(2,4,5-trimethoxyphenyl)ethenyl]cyclohex-2-en-1-yl]benzene
3-(3,4-dihydroxyphenyl)-1-[3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4-dihydroxy-6-methoxyphenyl]propan-1-one
1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]propan-1-one
(1r,3r,4s,4as,8r,8as)-3,4,8,8a-tetramethyl-7-oxo-4-{[(2-oxochromen-7-yl)oxy]methyl}-hexahydro-1h-naphthalen-1-yl acetate
(1s,2r,4s,7s,8s,11r,12r,17s,19r)-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15-dione
3-(1h-indol-3-ylmethyl)-6-{[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol
[(1e,3s,4r,7e,11r,12r)-3-(acetyloxy)-11-chloro-12-hydroxy-7,11-dimethyl-4-(prop-1-en-2-yl)cyclotetradeca-1,7-dien-1-yl]methyl acetate
C24H37ClO5 (440.23293820000004)
(3r,11r,16as)-11-benzyl-9-hydroxy-6-methyl-3-propyl-3h,4h,8h,11h,14h,15h,16h,16ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclotetradecane-1,7,12-trione
(1r,2r,4r,6s,7s,9s,10r,11r)-6-(furan-3-yl)-9,17-dihydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-16-ene-14,18-dione
(1s,2r,3s,5r,6r,8r,9r,10r,11s)-9-(acetyloxy)-2,6-dihydroxy-3,8-dimethyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.0³,⁵]tetradecan-10-yl (2s)-2-methylbutanoate
7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-hexahydronaphthalen-1-yl)methoxy]-6,8-dimethoxychromen-2-one
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-[(3-hydroxyoctyl)oxy]oxane-3,4-diol
C19H36O11 (440.22575059999997)