Exact Mass: 516.1762
Exact Mass Matches: 516.1762
Found 500 metabolites which its exact mass value is equals to given mass value 516.1762
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rottlerin
Rottlerin is a chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. It has a role as an antineoplastic agent, an apoptosis inducer, a metabolite, a K-ATP channel agonist, an antihypertensive agent and an anti-allergic agent. It is an enone, a chromenol, a benzenetriol, a methyl ketone and an aromatic ketone. Rottlerin is a natural product found in Mallotus philippensis with data available. A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 1.546 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.549 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.548 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.550 Rottlerin, a natural product purified from Mallotus Philippinensis, is a specific PKC inhibitor, with IC50 values for PKCδ of 3-6 μM, PKCα,β,γ of 30-42 μM, PKCε,η,ζ of 80-100 μM. Rottlerin acts as a direct mitochondrial uncoupler, and stimulates autophagy by targeting a signaling cascade upstream of mTORC1. Rottlerin induces apoptosis via caspase 3 activation[1][2][3]. Rottlerin inhibits HIV-1 integration and Rabies virus (RABV) infection[4][5]. Rottlerin, a natural product purified from Mallotus Philippinensis, is a specific PKC inhibitor, with IC50 values for PKCδ of 3-6 μM, PKCα,β,γ of 30-42 μM, PKCε,η,ζ of 80-100 μM. Rottlerin acts as a direct mitochondrial uncoupler, and stimulates autophagy by targeting a signaling cascade upstream of mTORC1. Rottlerin induces apoptosis via caspase 3 activation[1][2][3]. Rottlerin inhibits HIV-1 integration and Rabies virus (RABV) infection[4][5].
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Carindacillin sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01283
b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose
b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose is found in coffee and coffee products. b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose is isolated from the partial acid hydrolsates of the mucilage of Abelmoschus manihot (aibika) and Okra mucilage R in fruits and roots of Abelmoschus esculentus. Isolated from the partial acid hydrolsates of the mucilage of Abelmoschus manihot (aibika) and Okra mucilage R in fruits and roots of Abelmoschus esculentus. b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose is found in many foods, some of which are coffee and coffee products, fruits, fats and oils, and green vegetables.
Luteone 7-glucoside
Luteone 7-glucoside is found in pulses. Luteone 7-glucoside is isolated from the roots of Lupinus albus (white lupin). Isolated from the roots of Lupinus albus (white lupin). Luteone 7-glucoside is found in pulses and white lupine.
Cyclocalopin D
Cyclocalopin D is found in mushrooms. Cyclocalopin D is isolated from Boletus calopus and other Boletus species. Isolated from Boletus calopus and other Boletus subspecies Cyclocalopin D is found in mushrooms.
((2R,3S,4S,5R,6S)-6-(2-(3-(Benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate
1-(3-Methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
1-[6-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4H-chromen-3-YL 6-deoxy-alpha-L-mannopyranoside
Muraglitazar
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist
Phaseolotoxin
Phaseolotoxin is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Phaseolotoxin is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Phaseolotoxin can be found in common bean, green bean, and yellow wax bean, which makes phaseolotoxin a potential biomarker for the consumption of these food products.
Strictosidinic acid
Annotation level-3 Strictosidinic acid is a natural product found in Strychnos axillaris, Hunteria zeylanica, and other organisms with data available.
Epimedoside C
Eumaitenol
Euchrenone b11
7-(O6-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy)-6-methoxy-coumarin|7-(O6-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-6-methoxy-cumarin|scopoletin beta-gentiobioside
Mitraphyllic acid (16鈥樏傗垎1)-??-D-gluco-pyranosyl ester
5alpha,6beta,7beta,8alpha-tetraacetoxy-2-<2-(4-methoxyphenyl)ethyl>-5,6,7,8-tetrahydrochromone|5alpha,6beta,7beta,8alpha-tetraacetoxy-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrochromone|5??,6??,7??,8??-Tetraacetoxy-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-chromone
5-hydroxy-6-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one|7-hydroxy-8-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-n-propyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one
6-gamma,gamma-dimethylallylkaempferol 7-O-beta-D-glucoside
5-Hydroxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-3-(2,2-dimethyl-5-methoxy-8-hydroxy-2H-1-benzopyran-6-yl)-4H,8H-benzo[1,2-b:5,4-b]dipyran-4-one
5,7,3,4-tetrahydroxy-5-C-prenylflavone 7-O-beta-D-glucopyranoside
alpha-L-Rhap-(1 -> 4)-beta-D-GlcpA-(1 -> 6)-alphabeta-D-Galp
4-O-(3-O-alpha-D-glucopyranosyl)caffeoylquinic acid
4-O-(4-O-alpha-D-glucopyranosyl)caffeoylquinic acid
21-oxo-23S-hydroxy-21,23-dihydroevodol|euodirutaecin A
(1S,7S,8S,9S)-10-chloro-11-(3-hydroxyisovaleroxy)-1,7-diisovaleroxyvaltrate chlorohydrin|chlorovaltrate L
23-oxo-21S-hydroxy-21,23-dihydroevodol|evodirutaenin A
5,4-dihydroxy-7-O-beta-D-pyranglycuronate butyl ester
(aS)-(5R,6R,7S,8S)-5,6,7,8-tetrahydro-1,5,7-trihydroxy-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2:4,5]benzo[1,2-d][1,3]dioxol-8-yl 2-methylbut-2-enoate|kadsuphilin H
2,2-Di-O-Me-betabeta-D-Galactopyranosyl-(1?4)-beta-D-galactopyranosyl-(1?4)-L-rhamnose
O-(D-Galaktopyranosyluronsaeure)-(1->4)-O-(D-galactopyranosyluronsaeure)-(1->2)-L-rhamnose|O-alpha-4-D-Galacturonosyl-(1->4)-O-alpha-D-galacturonosyl-(1->2)-O-L-rhamnose
ethyl 5-acetoxy-2,4-bis(4-acetoxy-3-methoxyphenyl)pentanoate
(2E,4E)-4,5-deepoxy-22-demethyl-2,3,4,5-tetradehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,10E,12E)-14-chloro-84-hydroxy-15,7r-dimethoxy-3,9c,11-trimethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,10,12-tetraene-82,14-dione|deepoxynormaysine|Maysenin|Maysenine
O-(beta-D-Glucopyranosyluronsaeure)-(1->3)-O-(alpha-D-galactopyranosyluronsaeure)-(1->3)-L-rhamnose
4-(4-oxotigloxy)-eupaformosanin|4-<4-oxotigloxy>-eupaformosanin
CID 91895449
5-O-(3-O-Glucosylcaffeoyl)quinic acid
Mitoxantrone hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate
C27H32O10_Methyl (2S)-[(5S,6S,10S,12S,13R,15S,19S)-6-(3-furyl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0~2,12~.0~5,10~.0~10,12~.0~13,18~]nonadec-19-yl](hydroxy)acetate
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate [IIN-based on: CCMSLIB00000847426]
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate [IIN-based: Match]
Cys Cys Glu Tyr
Cys Cys Tyr Glu
Cys Glu Cys Tyr
Cys Glu Glu His
Cys Glu His Glu
Cys Glu Tyr Cys
Cys Phe Phe Thr
Cys Phe Thr Phe
Cys His Glu Glu
Cys Met Thr Tyr
Cys Met Tyr Thr
Cys Thr Phe Phe
Cys Thr Met Tyr
Cys Thr Tyr Met
Cys Tyr Cys Glu
Cys Tyr Glu Cys
Cys Tyr Met Thr
Cys Tyr Thr Met
Asp Asp His Met
Asp Asp Met His
Asp Gly Tyr Tyr
Asp His Asp Met
Asp His Met Asp
Asp Met Asp His
Asp Met His Asp
Asp Tyr Gly Tyr
Asp Tyr Tyr Gly
Glu Cys Cys Tyr
Glu Cys Glu His
Glu Cys His Glu
Glu Cys Tyr Cys
Glu Glu Cys His
Glu Glu His Cys
Glu His Cys Glu
Glu His Glu Cys
Glu His Met Thr
Glu His Thr Met
Glu Met His Thr
Glu Met Thr His
Glu Thr His Met
Glu Thr Met His
Glu Tyr Cys Cys
Phe Cys Phe Thr
Phe Cys Thr Phe
Phe Phe Cys Thr
Phe Phe Thr Cys
Phe Gly Met Tyr
Phe Gly Tyr Met
Phe Met Gly Tyr
Phe Met Tyr Gly
Phe Thr Cys Phe
Phe Thr Phe Cys
Phe Tyr Gly Met
Phe Tyr Met Gly
Gly Asp Tyr Tyr
Gly Phe Met Tyr
Gly Phe Tyr Met
Gly Met Phe Tyr
Gly Met Tyr Phe
Gly Tyr Asp Tyr
Gly Tyr Phe Met
Gly Tyr Met Phe
Gly Tyr Tyr Asp
His Cys Glu Glu
His Asp Asp Met
His Asp Met Asp
His Glu Cys Glu
His Glu Glu Cys
His Glu Met Thr
His Glu Thr Met
His His His Ser
His His Ser His
His Met Asp Asp
His Met Glu Thr
His Met Met Val
His Met Thr Glu
His Met Val Met
His Ser His His
His Thr Glu Met
His Thr Met Glu
His Val Met Met
Met Cys Thr Tyr
Met Cys Tyr Thr
Met Asp Asp His
Met Asp His Asp
Met Glu His Thr
Met Glu Thr His
Met Phe Gly Tyr
Met Phe Tyr Gly
Met Gly Phe Tyr
Met Gly Tyr Phe
Met His Asp Asp
Met His Glu Thr
Met His Met Val
Met His Thr Glu
Met His Val Met
Met Met His Val
Met Met Val His
Met Thr Cys Tyr
Met Thr Glu His
Met Thr His Glu
Met Thr Tyr Cys
Met Val His Met
Met Val Met His
Met Tyr Cys Thr
Met Tyr Phe Gly
Met Tyr Gly Phe
Met Tyr Thr Cys
Ser His His His
Thr Cys Phe Phe
Thr Cys Met Tyr
Thr Cys Tyr Met
Thr Glu His Met
Thr Glu Met His
Thr Phe Cys Phe
Thr Phe Phe Cys
Thr His Glu Met
Thr His Met Glu
Thr Met Cys Tyr
Thr Met Glu His
Thr Met His Glu
Thr Met Tyr Cys
Thr Tyr Cys Met
Thr Tyr Met Cys
Val His Met Met
Val Met His Met
Val Met Met His
Tyr Cys Cys Glu
Tyr Cys Glu Cys
Tyr Cys Met Thr
Tyr Cys Thr Met
Tyr Asp Gly Tyr
Tyr Asp Tyr Gly
Tyr Glu Cys Cys
Tyr Phe Gly Met
Tyr Phe Met Gly
Tyr Gly Asp Tyr
Tyr Gly Phe Met
Tyr Gly Met Phe
Tyr Gly Tyr Asp
Tyr Met Cys Thr
Tyr Met Phe Gly
Tyr Met Gly Phe
Tyr Met Thr Cys
Tyr Thr Cys Met
Tyr Thr Met Cys
Tyr Tyr Asp Gly
Tyr Tyr Gly Asp
Ketoconazole Metabolite (1-Piperazinecarboxaldehyde, 4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-
Luteone 7-glucoside
b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose
Cyclocalopin D
N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-(formyloxy)propyl ester
[1,1-Biphenyl]-4-carboxylic acid [3aR-[3aa,4a(E),5b,6aa]]-4-[4-(3-chlorophenoxy)-3-oxo-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester
benzene-1,3-dicarboxylic acid,furan-2,5-dione,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
2-[(1E,3Z)-3-CHLORO-5-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SRT 2104
SRT 2104 is a first-in-class, highly selective and brain-permeable activator of the NAD+ dependent deacetylase Sirt1, increases Sirt1 protein, but shows no effect on Sirt1 mRNA. Used in the research of diabetes mellitus and Huntington’s disease[1][2][3].
5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester
methyl 2-ethoxy-1-[[2-(ethoxycarbonyloxy-carbamimidoyl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate
N-Acetyl-9-azido-9-deoxyneuraminic acid methyl ester 2,4,7,8-tetraacetate
D-glycero-D-gulo-Dec-1-enitol, 4,7-anhydro-1,2,3,8-tetradeoxy-6-O-(phenylmethyl)-, 9,10-dibenzoate
(S,S)-1,2-BIS[(TERT-BUTYL)METHYLPHOSPHINO]ETHANE[ETA-(2,5-NORBORNADIENE)]RHODIUM(I) TETRAFLUOROBORATE
5-Oxa-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-7- (4-Met
Maltosyl-alpha (1,4)-(Z,3S,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime
CARBENICILLIN INDANYL SODIUM
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Pargluva
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist
3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,10,12-tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]azanium
(2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
(2R,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Ananolignan F
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
7-[4-(4-Acetamidophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
(1R,2R)-2-[(R)-(diphenylphosphorylamino)-phenylmethyl]-N-(2-naphthalenyl)-1-cyclopropanecarboxamide
(1S,3S)-3,5,10,12-tetrahydroxy-3-[(1R)-1-hydroxyethyl]-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
Cys-Met-Thr-Tyr
A tetrapeptide composed of L-cysteine, L-methionine, L-threonine and L-tyrosine joined in sequence by peptide linkages.
beta-D-glucuronosyl-(1->3)-alpha-D-galacturonosyl-(1->2)-L-rhamnose
6-({(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino]-3-phenylpropanoyl}amino)hexanoic acid
3-(2,5-difluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(2,5-difluorophenyl)-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(2,5-difluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[(1S,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-methoxybenzenesulfonamide
3-(2,5-difluorophenyl)-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(2,5-difluorophenyl)-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(2,5-difluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(2,5-difluorophenyl)-1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(2,5-difluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-methoxybenzenesulfonamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-methoxybenzenesulfonamide
2-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
2-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
1-[(5S,6R,9R)-8-acetyl-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-(2-chlorophenyl)urea
N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
7-(3-Amino-3-carboxypropyl)wyosine 5-monophosphate
A ribonucleoside 5-monophosphate that is wyosine 5-monophosphate substituted at position 7 by a 3-amino-3-carboxypropyl group.
[2,4-dihydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]methanone
(12S,13R)-12-acetyl-9,13,19-trihydroxy-5,10,21-trimethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,5,8,10,15,18(23),19,21-nonaene-7,17-dione
2-(3,4-dihydroxyphenyl)ethyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-hydroxy-4a,5,7,7a-tetrahydro-4H-furo[3,4-b]pyran-3-carboxylate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] hexanoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] heptanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] octanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] nonanoate
[(E)-2-[(3aR,4R,6R,6aS,7R,9aR,9bR)-7-acetyloxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2-oxirane]-4-yl]oxycarbonylbut-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate
(13R)-13-dihydrocarminomycin(1+)
An anthracyline cation that is the conjugate acid of (13R)-13-dihydrocarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3
1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one
4-[2-(hydroxymethyl)-5-methoxy-9-oxo-2h,3h-[1,4]dioxino[2,3-h]chromen-3-yl]-2-methoxyphenyl 3-phenylprop-2-enoate
(3s,4s,15z)-3-(hydroxymethyl)-7-methoxy-2,10-dioxa-18,23-diazapentacyclo[19.5.2.2¹¹,¹⁴.1⁵,⁹.0²⁴,²⁸]hentriaconta-1(26),5(31),6,8,11,13,15,17,21,24,27,29-dodecaene-4,8,17-triol
methyl (2s,6r,11r,12s,14s,15r)-15-(furan-3-carbonyl)-14-hydroxy-2,7,7,12,15-pentamethyl-4,9,13-trioxo-3,8-dioxatetracyclo[10.5.0.0²,⁶.0⁶,¹¹]heptadecane-14-carboxylate
11-isopropyl-4,7-dimethyl-18-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol
(2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
methyl (1s,2s,6r,11r,12s,14s,15r)-15-(furan-3-carbonyl)-14-hydroxy-2,7,7,12,15-pentamethyl-4,9,13-trioxo-3,8-dioxatetracyclo[10.5.0.0²,⁶.0⁶,¹¹]heptadecane-14-carboxylate
4-(2,4-dihydroxyphenyl)-5-(3,5-dihydroxyphenyl)-11-(4-hydroxyphenyl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-triene-7,12-diol
(2s)-4-{5-hydroxy-8,8-dimethyl-2-oxo-4-propylpyrano[2,3-h]chromen-6-yl}-2-methyl-4-oxobutyl (2e)-3-phenylprop-2-enoate
6-[(12z)-13-chloro-8,9,14-trihydroxy-5-methyl-3-oxo-2,16,19-trioxatricyclo[13.2.1.1⁴,⁷]nonadeca-10,12-dien-17-yl]-6-hydroxy-3-methylhex-4-enoic acid
(2s,3r,4r,5r,6s)-3-{[(2r,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-{[(2r,3s,4r,5r)-3,4,5-trihydroxy-1-oxohexan-2-yl]oxy}oxane-2-carboxylic acid
methyl 15-(furan-3-carbonyl)-14-hydroxy-2,7,7,12,15-pentamethyl-4,9,13-trioxo-3,8-dioxatetracyclo[10.5.0.0²,⁶.0⁶,¹¹]heptadecane-14-carboxylate
(2e)-4-{[(3ar,4r,9r,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-3-(hydroxymethyl)-4-oxobut-2-en-1-yl (2e)-2-methyl-4-oxobut-2-enoate
methyl 3-[(1r,2r,4s,7s,8s,11r,12r,13r,17s)-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.0²,⁴.0²,⁸.0¹³,¹⁷]heptadecan-12-yl]prop-2-enoate
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-isopropoxyoxan-2-yl)methoxy]oxolan-3-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
methyl (2s)-2-[(1s,2r,3s,4s,5r,6r,8s,10s,13r,14r,17r,18s)-13-(furan-3-yl)-1,3-dihydroxy-4,6,14-trimethyl-7,11-dioxo-9,12-dioxahexacyclo[8.7.1.1³,⁶.0²,⁸.0⁴,¹⁷.0¹⁴,¹⁸]nonadecan-5-yl]-2-hydroxyacetate
methyl 2-[6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate
(1s,2r,3r,4r,7r,8s,11s,12r,13s,14r,16s,17r,18r)-2-(acetyloxy)-8-chloro-3,12,17-trihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadecan-11-yl acetate
methyl (2s)-2-[(1s,2r,5r,6r,11s,12r,14s,15r,17s,18s)-6-(furan-3-yl)-11,14,17-trihydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadec-9-en-18-yl]-2-hydroxyacetate
beta-d-glucopyranuronosyl-(1→3)-alpha-d-galactopyranuronosyl-(1→2)-l-rhamnose
{"Ingredient_id": "HBIN018079","Ingredient_name": "beta-d-glucopyranuronosyl-(1\u21923)-alpha-d-galactopyranuronosyl-(1\u21922)-l-rhamnose","Alias": "NA","Ingredient_formula": "C18H28O17","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "4","PubChem_id": "NA","DrugBank_id": "NA"}