Exact Mass: 500.1565
Exact Mass Matches: 500.1565
Found 500 metabolites which its exact mass value is equals to given mass value 500.1565
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nocardicin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester
Nocardicin B
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Fluticasone propionate
Fluticasone propionate, a medium-potency synthetic corticosteroid, is used topically to relieve inflammatory and pruritic symptoms of dermatoses and psoriasis, intranasally to manage symptoms of allergic and non-allergic rhinitis, and orally for the treatment of asthma. Fluticasone propionate binds to the glucocorticoid receptor. Unbound corticosteroids cross the membranes of cells such as mast cells and eosinophils, binding with high affinity to glucocorticoid receptors (GR). The results include alteration of transcription and protein synthesis, a decreased release of leukocytic acid hydrolases, reduction in fibroblast proliferation, prevention of macrophage accumulation at inflamed sites, reduction of collagen deposition, interference with leukocyte adhesion to the capillary wall, reduction of capillary membrane permeability and subsequent edema, reduction of complement components, inhibition of histamine and kinin release, and interference with the formation of scar tissue. In the management of asthma, the glucocorticoid receptor complexes down-regulates proinflammatory mediators such as interleukin-(IL)-1, 3, and 5, and up-regulates anti-inflammatory mediators such as IκB (inhibits NF-κB). Corticosteroids are the most effective anti-inflammatory therapy for allergic diseases. They are believed to inhibit T helper cell type 2 (TH2 T-cell) activation through increased immunoregulatory T cell (CD4+CD25+) suppression (PMID: 15316506). Fluticasone propionate is marketed under the brand name Flixotide and Flixonase by Allen & Hanburys, and Flovent and Flonase by GlaxoSmithKline. Fluticasone propionate is only found in individuals that have used or taken this drug. Hanburys and Flovent and Flonase by GlaxoSmithKline.; Fluticasone propionate is a potent glucocorticoid often prescribed as treatment for asthma and allergic rhinitis. It is marketed with the brand name Flixotide and Flixonase by Allen & Fluticasone is a potent glucocorticoid often prescribed as treatment for asthma and allergic rhinitis. D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D000893 - Anti-Inflammatory Agents D018926 - Anti-Allergic Agents D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Artonol C
Artonol C is found in breadfruit. Artonol C is a constituent of the bark of Artocarpus communis (breadfruit) Constituent of the bark of Artocarpus communis (breadfruit). Artonol C is found in breadfruit and fruits.
Orcein
Once used as a food colouring but now banned throughout the EC Cudbear is a dye extracted from orchil lichens that produces colours in the purple range. It can be used to dye wool and silk, without the use of mordant. Cudbear was the first dye to be invented in modern times, and one of the few dyes to be credited to a named individual. Orcinol is extracted from archil lichen, Rocella tinctoria. It is then converted to orcein by ammonia and air. Orcein is a reddish-brown dye, orchil is a purple-blue dye. Orcein is also used as a stain in microscopy to visualize elastic fibers,Hepatitis B surface antigens and copper associated proteins. It is a mixture of phenoxazone derivates - hydroxyorceins, aminoorceins, and aminoorceinimines.
Lyoniresinol 9'-sulfate
Lyoniresinol 9-sulfate is found in green vegetables. Lyoniresinol 9-sulfate is a constituent of the roots of Polygonum cuspidatum (Japanese knotweed).
S)-2-(5(((1,2-Dihydro-3-methyl-1-oxobenzo(F)quinazolin-9-YL)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
Baohuoside II
(E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
Nocardicin A
Rolapitant
Simotinib
Ikarisoside A
Baohuoside II is a natural product found in Epimedium grandiflorum, Epimedium diphyllum, and other organisms with data available. IKarisoside A (Icarisoside-A) is a natural flavonol glycoside and has anti-inflammatory properties. IKarisoside A (Icarisoside-A) is a natural flavonol glycoside and has anti-inflammatory properties.
Epigallocatechin 5,3,5-trimethyl ether 3-O-gallate
1,4,5-trihydroxynaphthalene 1,4-di-O-beta-D-glucopyranoside|5-hydroxynaphthalene-1,4-di-O-beta-D-glucopyranoside|juglanoside F
(E)-2-(6-(bis(4-hydroxyphenyl)methylene)-5-(4-hydroxyphenyl)cyclohexa-2,4-dienylidene)-1-(4-hydroxyphenyl)ethanone|selaginellin G
2-((Z)-hepta-5-en-1,3-diynyl)tetrahydrofuran-2-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside|panaxfurayne B
(betaS,2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-beta-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-6-propanoic acid methyl ester|6-[(1S)-3-methoxy-3-oxo-1-(2,4,5-trihydroxyphenyl)propyl]catechin
O-Rutinoside-3-(3-Hydroxypropyl)phthalide|Pedirutinoside
5-[(1E)-2-(4beta-D-glucopyranosyloxyphenyl)ethenyl]-4,7-dimethoxy-3-methyl-2H-1-benzopyran-2-one
Guibourtinidol-(4alpha->2)-3,5,3,4-tetrahydroxystilbene
(6-trans-p-coumaroyl)-3-O-beta-D-glucopyranosyl-(5-acetyl)-2-deoxy-D-ribonic acid
3-O-p-coumaroyl-5-O-caffeoylquinic acid|3-p-(E)-coumaroyl-5-(E)-caffeoylquinic acid
1-O-trans-caffeoyl-5-O-trans-p-coumaroylquinic acid
1,4,5-trihydroxynaphthalene 1,5-di-O-beta-D-glucopyranoside|juglanoside G
(1R,2S,4S,5S,6R,7R,9S,10S)-1,2,9,15-tetraacetoxy-4,6-dihydroxy-8-oxodihydro-beta-agarofuran
(2R,3R)-7,4-dihydroxy-5,3,5-trimethoxyflavan-3-O-gallate
Haploperoside C
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.543 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.542
Fluticasone propionate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D000893 - Anti-Inflammatory Agents D018926 - Anti-Allergic Agents D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one
C22H28O13_3-[6-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranosyl}oxy)-1-benzofuran-5-yl]propanoic acid
6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one
Fluticasone
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents CONFIDENCE standard compound; INTERNAL_ID 2831 D000893 - Anti-Inflammatory Agents D018926 - Anti-Allergic Agents D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cys Cys Glu Phe
Cys Cys Phe Glu
Cys Cys Ile Tyr
Cys Cys Leu Tyr
Cys Cys Tyr Ile
Cys Cys Tyr Leu
Cys Asp Thr Tyr
Cys Asp Tyr Thr
Cys Glu Cys Phe
Cys Glu Phe Cys
Cys Glu Ser Tyr
Cys Glu Tyr Ser
Cys Phe Cys Glu
Cys Phe Glu Cys
Cys Phe Met Thr
Cys Phe Thr Met
Cys His Asn Gln
Cys His Gln Asn
Cys Ile Cys Tyr
Cys Ile Tyr Cys
Cys Leu Cys Tyr
Cys Leu Tyr Cys
Cys Met Phe Thr
Cys Met Thr Phe
Cys Asn His Gln
Cys Asn Gln His
Cys Gln His Asn
Cys Gln Asn His
Cys Ser Glu Tyr
Cys Ser Tyr Glu
Cys Thr Asp Tyr
Cys Thr Phe Met
Cys Thr Met Phe
Cys Thr Tyr Asp
Cys Tyr Cys Ile
Cys Tyr Cys Leu
Cys Tyr Asp Thr
Cys Tyr Glu Ser
Cys Tyr Ile Cys
Cys Tyr Leu Cys
Cys Tyr Ser Glu
Cys Tyr Thr Asp
Asp Cys Thr Tyr
Asp Cys Tyr Thr
Asp Asp Asp His
Asp Asp His Asp
Asp Glu His Thr
Asp Glu Thr His
Asp Phe Gly Tyr
Asp Phe Tyr Gly
Asp Gly Phe Tyr
Asp Gly Tyr Phe
Asp His Asp Asp
Asp His Glu Thr
Asp His Thr Glu
Asp Thr Cys Tyr
Asp Thr Glu His
Asp Thr His Glu
Asp Thr Tyr Cys
Asp Tyr Cys Thr
Asp Tyr Phe Gly
Asp Tyr Gly Phe
Asp Tyr Thr Cys
Glu Cys Cys Phe
Glu Cys Phe Cys
Glu Cys Ser Tyr
Glu Cys Tyr Ser
Glu Asp His Thr
Glu Asp Thr His
Glu Glu His Ser
Glu Glu Ser His
Glu Phe Cys Cys
Glu His Asp Thr
Glu His Glu Ser
Glu His Ser Glu
Glu His Thr Asp
Glu Ser Cys Tyr
Glu Ser Glu His
Glu Ser His Glu
Glu Ser Tyr Cys
Glu Thr Asp His
Glu Thr His Asp
Glu Tyr Cys Ser
Glu Tyr Ser Cys
Phe Cys Cys Glu
Phe Cys Glu Cys
Phe Cys Met Thr
Phe Cys Thr Met
Phe Asp Gly Tyr
Phe Asp Tyr Gly
Phe Glu Cys Cys
Phe Gly Asp Tyr
Phe Gly Tyr Asp
Phe Met Cys Thr
Phe Met Thr Cys
Phe Thr Cys Met
Phe Thr Met Cys
Phe Tyr Asp Gly
Phe Tyr Gly Asp
Gly Asp Phe Tyr
Gly Asp Tyr Phe
Gly Phe Asp Tyr
Gly Phe Tyr Asp
Gly Met Met Tyr
Gly Met Tyr Met
Gly Tyr Asp Phe
Gly Tyr Phe Asp
Gly Tyr Met Met
His Cys Asn Gln
His Cys Gln Asn
His Asp Asp Asp
His Asp Glu Thr
His Asp Thr Glu
His Glu Asp Thr
His Glu Glu Ser
His Glu Ser Glu
His Glu Thr Asp
His Asn Cys Gln
His Asn Gln Cys
His Gln Cys Asn
His Gln Asn Cys
His Ser Glu Glu
His Thr Asp Glu
His Thr Glu Asp
Ile Cys Cys Tyr
Ile Cys Tyr Cys
Ile Tyr Cys Cys
Leu Cys Cys Tyr
Leu Cys Tyr Cys
Leu Tyr Cys Cys
Met Cys Phe Thr
Met Cys Thr Phe
Met Phe Cys Thr
Met Phe Thr Cys
Met Gly Met Tyr
Met Gly Tyr Met
Met Met Gly Tyr
Met Met Tyr Gly
Met Thr Cys Phe
Met Thr Phe Cys
Met Tyr Gly Met
Met Tyr Met Gly
Asn Cys His Gln
Asn Cys Gln His
Asn His Cys Gln
Asn His Gln Cys
Asn Gln Cys His
Asn Gln His Cys
Gln Cys His Asn
Gln Cys Asn His
Gln His Cys Asn
Gln His Asn Cys
Gln Asn Cys His
Gln Asn His Cys
Ser Cys Glu Tyr
Ser Cys Tyr Glu
Ser Glu Cys Tyr
Ser Glu Glu His
Ser Glu His Glu
Ser Glu Tyr Cys
Ser His Glu Glu
Ser Tyr Cys Glu
Ser Tyr Glu Cys
Thr Cys Asp Tyr
Thr Cys Phe Met
Thr Cys Met Phe
Thr Cys Tyr Asp
Thr Asp Cys Tyr
Thr Asp Glu His
Thr Asp His Glu
Thr Asp Tyr Cys
Thr Glu Asp His
Thr Glu His Asp
Thr Phe Cys Met
Thr Phe Met Cys
Thr His Asp Glu
Thr His Glu Asp
Thr Met Cys Phe
Thr Met Phe Cys
Thr Tyr Cys Asp
Thr Tyr Asp Cys
Tyr Cys Cys Ile
Tyr Cys Cys Leu
Tyr Cys Asp Thr
Tyr Cys Glu Ser
Tyr Cys Ile Cys
Tyr Cys Leu Cys
Tyr Cys Ser Glu
Tyr Cys Thr Asp
Tyr Asp Cys Thr
Tyr Asp Phe Gly
Tyr Asp Gly Phe
Tyr Asp Thr Cys
Tyr Glu Cys Ser
Tyr Glu Ser Cys
Tyr Phe Asp Gly
Tyr Phe Gly Asp
Tyr Gly Asp Phe
Tyr Gly Phe Asp
Tyr Gly Met Met
Tyr Ile Cys Cys
Tyr Leu Cys Cys
Tyr Met Gly Met
Tyr Met Met Gly
Tyr Ser Cys Glu
Tyr Ser Glu Cys
Tyr Thr Cys Asp
Tyr Thr Asp Cys
Flutide
KN-93
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Orcein
D004396 - Coloring Agents
Lyoniresinol 9'-sulfate
rolapitant
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Rolapitant (SCH619734) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant does not interact with CYP3A4. Rolapitant shows potent anti-emetic activity in a ferret emesis model[1][2].
1,4-PHENYLENEBIS[[4-(4-AMINOPHENOXY)PHENYL]METHANONE]
[4,5,8-triacetyloxy-6-(1-acetyloxy-4-methylpent-3-enyl)naphthalen-1-yl] acetate
4-hexyl-2-(4-hexyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYLPYRAZOLE-3-CARBOXYLICACID
(6R,7R)-3-Hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester
Benzoic acid, 4-(((2,3-dihydro-6-((2-methylpropyl)(2-thiazolylsulfonyl)amino)-1H-inden-5-yl)oxy)methyl)-3-methyl-
5-hydroxy-2-methylchromone-7-O-rutinoside
A disaccharide derivative that consists of 5-hydroxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity.
1843U89;(2S)-2-(5-{[(3-Methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)me thyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
S)-2-(5(((1,2-Dihydro-3-methyl-1-oxobenzo(F)quinazolin-9-YL)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents
(1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
2-glutathion-S-yl-3-(4-nitrophenyl) propionic acid
(2S)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid
(3S,alphaR)-3-[[[4-[(R)-3-Amino-3-carboxypropoxy]phenyl]-[(Z)-hydroxyimino]acetyl]amino]-alpha-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
2-[cyclopentyl-[1-oxo-2-(5-thiophen-2-yl-2-tetrazolyl)ethyl]amino]-N-(2-oxolanylmethyl)-2-thiophen-2-ylacetamide
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
2-(4-morpholinyl)-9-(3-thiophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-6-purinamine
6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[[(4R,5R)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4R,5R)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4S,5R)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4R,5S)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[[(4S,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4S,5S)-8-(4-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4S,5R)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
N-[[(4R,5S)-8-(4-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylmethanesulfonamide
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide
1,2-diacetyl-3-[beta-D-glucosyl-(1->6)-beta-D-galactosyl]-sn-glycerol
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate
(2S,3S,4S,5R)-6-[7-carbamoyl-5-hydroxy-1-(4-phenylbutan-2-yl)indol-6-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R)-6-[7-carbamoyl-6-hydroxy-1-(4-phenylbutan-2-yl)indol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[2-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] acetate
Isonocardicin A
A nocardicin in which the beta-lactam moiety is substituted at position 1 by a carboxy(4-hydroxyphenyl)methyl group and at position 3 by a [(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetyl]nitrilo group in which the phenolic hydroxy group is substituted by a (3S)-3-amino-3-carboxypropyl group.
13-deoxycarminomycin(1+)
An anthracyline cation that is the conjugate acid of 13-deoxycarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3
isonocardicin A zwitterion
An L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of isonocardicin A.
4-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
(12r)-3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-(prop-1-en-2-yl)-8,20,26-trioxahexacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-1(14),2,4(9),5,10,16,18,22,24-nonaen-15-one
2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-3-isopropyl-4-(2-methylpropyl)-3,4-dihydro-2h-1-benzopyran-6,8-dicarbaldehyde
methyl (3r)-4-{6-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl}-3-hydroxy-3-methylbutanoate
(11s,12r)-6-(3,5-dihydroxyphenyl)-5,12-bis(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol
(8r,10s)-10-{[(2r,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-1,8,11-trihydroxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
4,7-dimethoxy-3-methyl-5-[(1e)-2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]chromen-2-one
5-[(2s,3s)-7-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-6-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
(1e,2r,3r)-3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
(9r)-8-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-9-[(4-methoxyphenyl)methyl]-9h-xanthene-2,3,6-triol
(2s,3r,4s,5s,6r)-2-[(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-[(2r,3s)-8-formyl-5,7-dihydroxy-3-isopropyl-6-(3-methylbutanoyl)-3,4-dihydro-2h-1-benzopyran-2-yl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
4-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)-3-methyloxolan-2-yl]oxy}methyl)-3,4,5-trihydroxy-3-methyloxan-2-yl]oxy}-6-hydroxychromen-2-one
11,12,16-trimethyl (1r,12r,13r,16r,23r)-12-hydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),17-tetraene-11,12,16-tricarboxylate
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxychromen-2-one
16,18-dimethyl 18-hydroxy-23-methoxy-11,13,20-trioxa-3,16-diazaoctacyclo[15.6.2.0¹,¹⁹.0²,⁶.0³,²¹.0⁶,¹⁷.0⁷,¹⁵.0¹⁰,¹⁴]pentacosa-7(15),8,10(14)-triene-16,18-dicarboxylate
12-(acetyloxy)-6-chloro-14,15-dihydroxy-2,11,15-trimethyl-7-methylidene-3-oxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadecan-17-yl acetate
3-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
5-(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy]-4-hydroxy-6-methyloxan-3-yl acetate
(4s,5s,11s,12r)-5-(3,5-dihydroxyphenyl)-4,11-bis(4-hydroxyphenyl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-triene-7,12-diol
12alpha-Hydroxyevodol
{"Ingredient_id": "HBIN000707","Ingredient_name": "12alpha-Hydroxyevodol","Alias": "12alpha-hydroxyevodol; 12\u03b1-hydroxyevodol","Ingredient_formula": "C26H28O10","Ingredient_Smile": "CC1(C2=C(C(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)O)C","Ingredient_weight": "500.5 g/mol","OB_score": "19.40751811","CAS_id": "NA","SymMap_id": "SMIT01183;SMIT15841","TCMID_id": "31192;10117","TCMSP_id": "MOL003976","TCM_ID_id": "19312","PubChem_id": "129317030","DrugBank_id": "NA"}
5-methylcoumarin-4-cellobioside
{"Ingredient_id": "HBIN011802","Ingredient_name": "5-methylcoumarin-4-cellobioside","Alias": "NA","Ingredient_formula": "C22H28O13","Ingredient_Smile": "CC1=C2C(=CC=C1)OC(=O)C=C2OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "500.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14248","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "196631","DrugBank_id": "NA"}
5-methylcoumarin-4-gentiobioside
{"Ingredient_id": "HBIN011803","Ingredient_name": "5-methylcoumarin-4-gentiobioside","Alias": "NA","Ingredient_formula": "C22H28O13","Ingredient_Smile": "CC1=C2C(=CC=C1)OC(=O)C=C2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O","Ingredient_weight": "500.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14249","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3080987","DrugBank_id": "NA"}