Exact Mass: 444.14202539999997
Exact Mass Matches: 444.14202539999997
Found 500 metabolites which its exact mass value is equals to given mass value 444.14202539999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tetracycline
Tetracycline is a broad spectrum polyketide antibiotic produced by the Streptomyces genus of Actinobacteria. It exerts a bacteriostatic effect on bacteria by binding reversible to the bacterial 30S ribosomal subunit and blocking incoming aminoacyl tRNA from binding to the ribosome acceptor site. It also binds to some extent to the bacterial 50S ribosomal subunit and may alter the cytoplasmic membrane causing intracellular components to leak from bacterial cells. A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic (-)-Tetracycline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=60-54-8 (retrieved 2024-09-27) (CAS RN: 60-54-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Doxycycline
C22H24N2O8 (444.15325839999997)
Doxycycline is only found in individuals that have used or taken this drug. It is a synthetic tetracycline derivative with similar antimicrobial activity. Animal studies suggest that it may cause less tooth staining than other tetracyclines. It is used in some areas for the treatment of chloroquine-resistant falciparum malaria (malaria, falciparum). [PubChem]Doxycycline, like minocycline, is lipophilic and can pass through the lipid bilayer of bacteria. Doxycycline reversibly binds to the 30 S ribosomal subunits and possibly the 50S ribosomal subunit(s), blocking the binding of aminoacyl tRNA to the mRNA and inhibiting bacterial protein synthesis. Doxycycline prevents the normal function of the apicoplast of Plasmodium falciparum, a malaria causing organism. A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Difenacoum
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
Granaticin
Fluticasone
C22H27F3O4S (444.1582058000001)
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids 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
Desacetylmycothiol
(13S,14R)-1,8-Dihydroxy-13-O-acetyl-N-methylcanadine
C23H26NO8+ (444.16583360000004)
Seladelpar
C21H23F3O5S (444.12182240000004)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Seladelpar (MBX-8025) is an orally active, potent (50\% effect concentration EC50 2 nM), and specific PPAR-δ agonist[1][2].
5-O-[(R)-Hydroxy{[(2s)-Pyrrolidin-2-Ylcarbonyl]oxy}phosphoryl]adenosine
Rothindin
Rothindin is found in herbs and spices. Rothindin is isolated from Trifolium pratense (red clover). Isolated from Trifolium pratense (red clover). Rothindin is found in tea and herbs and spices.
Formononetin 7-O-glucuronide
Formononetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Artomunoxanthentrione
Artomunoxanthentrione is found in breadfruit. Artomunoxanthentrione is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). Artomunoxanthentrione is found in breadfruit and fruits.
6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Betavulgarin xyloside
Betavulgarin xyloside is found in root vegetables. Betavulgarin xyloside is a constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Betavulgarin xyloside is found in root vegetables.
4-Hydroxyphenytoin glucuronide
C21H20N2O9 (444.11687500000005)
4-Hydroxyphenytoin glucuronide is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
Formononetin 7-glucuronide
Epitetracycline
C22H24N2O8 (444.15325839999997)
Sanclomycine, also known as achromycin or 4 epitetracycline, belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. Based on a literature review very few articles have been published on Sanclomycine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Epitetracycline is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Epitetracycline is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents Epitetracycline hydrochloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=23313-80-6 (retrieved 2024-10-30) (CAS RN: 23313-80-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Canagliflozin
fluticasone
C22H27F3O4S (444.1582058000001)
Halometasone
Luprostiol
C21H29ClO6S (444.13732840000006)
(2S)-1,1,1-Trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
Seladelpar
C21H23F3O5S (444.12182240000004)
Defibrotide
Vulgamycin
3'-O-Methylderhamnosylmaysin
3-o-methylderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-o-methylderhamnosylmaysin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-o-methylderhamnosylmaysin can be found in corn, which makes 3-o-methylderhamnosylmaysin a potential biomarker for the consumption of this food product.
1,3-Diferuloylglycerol
1,3-diferuloylglycerol belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. 1,3-diferuloylglycerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1,3-diferuloylglycerol can be found in common wheat, which makes 1,3-diferuloylglycerol a potential biomarker for the consumption of this food product.
2-(4-Hydroxy-3-methoxybenzyl)-3-[(1,3-benzodioxole-5-yl)methyl]butane-1,4-diol 1,4-diacetate
Volubilin
(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6,5-e]pyran-7(7aH)-one
Mortonin B
Enterocin
Isovolubilin
7-Hydroxy-5,4-dimethoxyflavone 8-C-rhamnoside
9beta-Acetoxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin
(13S,14R)-1,8-Dihydroxy-13-O-acetyl-N-methylcanadine
C23H26NO8 (444.16583360000004)
5,7,8-Trihydroxy-3,6,4-trimethoxy-flavone 8-isovalerate
Artomunoxanthentrione
Rothindin
Raltegravir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AJ - Integrase inhibitors D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
DODECAMETHYLCYCLOHEXASILOXANE
C12H36O6Si6 (444.11274360000004)
D001697 - Biomedical and Dental Materials
5-Methoxypodophyllotoxin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.156 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.096 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.064 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.075
1,2-O-di-(trans-feruloyl)glycerol|1,2-O-diferuloylglycerol
alpha-D-Xylopyranosyl-(1鈥樏傗垎4)-beta-D-glucopyranosyl-(1鈥樏傗垎6)-D-glucose
rel-(1R,5S,6R,7S,8R)-Delta2,8-6-acetoxy-3,3,5-trimethoxy-4,5-methylenedioxy-4-oxo-8.1,7.5-neolignan
rel-(1R,4S,5R,7S,8R)-Delta2,8-4-acetoxy-3,3,5-trimethoxy-4,5-methylenedioxy-6-oxo-8.1,7.5-neolignan
3beta-acetoxy-8alpha-(5-acetoxyangeloyloxy)-eremanthin|3beta-acetoxy-8alpha-<5-acetoxyangeloyloxy>-eremanthin
demethyleugenol 4-O-beta-D-xylopyranosyl-(1?6)-O-beta-D-glucopyranoside
C20H28O11 (444.16315380000003)
2-hydroxycinnamic alcohol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|cinnacasolide B
C20H28O11 (444.16315380000003)
7-(2,3-Dihydroxy-3-methylbutoxy)-2-(1,3-benzodioxole-5-yl)-3,5-dimethoxy-4H-1-benzopyran-4-one
1-(2-hydroxy-6-methylphenyl)ethanone 2-O-(6-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside|juniperoside IV
C20H28O11 (444.16315380000003)
4-O-alpha-L-rhamnopyranosyl-(1?6)-beta-D-glucopyranosyl acetophenone
C20H28O11 (444.16315380000003)
(Z)-1,3,6-trihydroxy-7-methoxy-2-(4-hydroxy-3-methylbut-2-enyl)-8-(3-hydroxy-3-methylbutyl)xanthone|schomburgxanthone
[4-(beta-D-glucopyranosyloxy)benzyl] 2,3-dihydroxy-3-methylbutanoate
C20H28O11 (444.16315380000003)
4-allyl-2-hydroxyphenyl 1-O-beta-D-apiosyl-(1->6)-beta-D-glucopyranoside
C20H28O11 (444.16315380000003)
3beta-acetoxy-8alpha-(4-acetoxyangeloyloxy)-eremanthin|3beta-acetoxy-8alpha-<4-acetoxyangeloyloxy>-eremanthin
(2S)-2-phenylpropionyl 6-O-beta-D-xylopyranisyl-beta-D-glucopyranoside
C20H28O11 (444.16315380000003)
(8R,9S)-2-angeloyloxy-9-isovaleryloxy-dihydrooroselol
(2R,3S)-2-acetoxy-2,3-bis(3,4-dimethoxybenzyl)-gamma-butyrolactone
4-[2-(4-hydroxyphenyl)ethyl]benzofuran-2-carboxylic acid (2S,3R,4S,5S,6R)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl ester|beta-D-glucopyranosyl 4-[2-(4-hydroxyphenyl)ethyl]benzofuran-2-carboxylate|tyrolobibenzyl A
(1R)-2c-Aethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1r-carbonsaeure-methylester|(1R)-2c-ethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1r-carboxylic acid methyl ester|epsilon-Iso-rhodomycinon|epsilon-iso-rhodomycinone|epsilon-Isorhodomycinon|epsilon-Isorhodomycinone
Doxycycline
C22H24N2O8 (444.15325839999997)
Tetracycline in which the 5beta-hydrogen is replaced by a hydroxy group, while the 6alpha-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3678
Tetracycline
C22H24N2O8 (444.15325839999997)
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
C20H28O11_Pentanedioic acid, 3-hydroxy-3-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl methyl ester
C20H28O11 (444.16315380000003)
C24H28O8_Furo[4,3,2-ij]pyrano[4,3:4,5]cyclohepta[1,2-f][2]benzopyran-1,5,9,13(2H,11H)-tetrone, 3a,5a,6,8,12,13a,13b,13c-octahydro-7-(hydroxymethyl)-2,5a,11,11,13a-pentamethyl
Halometasone
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C29629 - Combination Medication > C29639 - Topical Preparation > C29505 - Topical Corticosteroid D000893 - Anti-Inflammatory Agents D003879 - Dermatologic Agents
11-(hydroxymethyl)-2,6,6,14,19-pentamethyl-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-5(10),11-diene-3,8,15,20-tetrone
Ala Cys Asp His
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Betavulgarin xyloside
Formononetin 7-O-glucuronide
(S)-Tamsulosin Hydrochloride
C20H29ClN2O5S (444.14856140000006)
sermetacin
C22H21ClN2O6 (444.10880760000003)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1,1-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)diethanone
diethyl 4-[2,6-bis(ethoxycarbonyl)pyridin-4-yl]pyridine-2,6-dicarboxylate
C22H24N2O8 (444.15325839999997)
4-Defluoro-4-hydroxy Gefitinib
(3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (1R)-4-(diphenylamino)-1-Methyl-4-oxo-2-butyn-1-yl ester, (2E)-
(4S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-5-hydroxy-2-oxo-1,3-dioxane-4-carbaldehyde
4-(2,2-DIPHENYLPROPANE-4-YLOXYSULFONYL) NAPHTHOQUINONE-1,2-DIAZIDE
C25H20N2O4S (444.11437200000006)
3-O-ACETYL-6-O-BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE
ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE
2-[2-methyl-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetic acid
Canagliflozin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BK - Sodium-glucose co-transporter 2 (sglt2) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor
Defibrotide
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-Methylphenyl 6-deoxy-2-O-(phenylmethyl)-1-thio-beta-L-galactopyranoside 3,4-diacetate
C24H28O6S (444.16065080000004)
4-METHOXYPHENYL 3,4-O-ISOPROPYLIDENE-6-O-(4-METHYLBENZOYL)-BETA-D-GALACTOPYRANOSIDE
4-(1-METHYL-1-PHENYLETHYL)PHENYL 3-DIAZO-3,4-DIHYDRO-4-OXO-1-NAPHTHALENESULFONATE
C25H20N2O4S (444.11437200000006)
Tamsulosin hydrochloride
C20H29ClN2O5S (444.14856140000006)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents Tamsulosin hydrochloride ((R)-(-)-YM12617) is an inhibitor of α1-adrenergic receptor. Tamsulosin hydrochloride is used for the research of prostatic hyperplasia. Tamsulosin hydrochloride attenuates abdominal aortic aneurysm growth in animal models[1].
5-(1,3-Benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide
C25H20N2O4S (444.11437200000006)
3-[2-[(E)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
Tetracycline zwitterion
C22H24N2O8 (444.15325839999997)
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(1S,2E,3S,6R,8R,9S)-1,3,8,10-tetrahydroxy-2-[hydroxy(phenyl)methylidene]-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one
[9-(2-Carboxy-5-isothiocyanatophenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
C25H22N3O3S+ (444.1381802000001)
6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
(1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione
4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
(4-Chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone
N-(2,5-dimethoxyphenyl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfonyl]acetamide
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
C22H16F4N4O2 (444.12093239999996)
3-L-prolyl-AMP
An L-proline derivative that is the ester obtained by formal condensation of the carboxy group of L-proline with the 3-hydroxy group of AMP.
Tetramethylrhodamine thiocyanate cation
C25H22N3O3S+ (444.1381802000001)
N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide
3-[(4Z)-5-oxo-3-phenyl-4-[(4-phenylphenyl)methylidene]pyrazol-1-yl]benzoic acid
N-[3-chloro-2-(1-piperidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide
3-[2-(2-furanylmethylamino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)-2-naphthalenecarboxamide
4-[(4-Acetyl-2-methoxyphenyl)methoxy]-3-methoxybenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester
C22H24N2O8 (444.15325839999997)
3-[2,2-Dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea
C24H23Cl2FN2O (444.11713799999995)
3-Benzyl-2-(benzylimino)-5-(3,4-dimethoxybenzylidene)-1,3-thiazolidin-4-one
Alpha-D-Xylopyranosyl-(1->3)-Alpha-D-Xylopyranosyl-(1->3)-Beta-D-Glucopyranose
4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
C22H24N2O8 (444.15325839999997)
1-(4-Methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(1H-imidazol-5-ylsulfonyl)-3-piperidinecarboxamide
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
(oxiran-2-yl)methyl 2-{6-[(oxiran-2-yl)methoxy]-3-oxo-3H-xanthen-9-yl}benzoate
4-(Dimethylamino)-5,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
C22H24N2O8 (444.15325839999997)
N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[2-[(2S,5S,6S)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
N-[2-[(2S,5S,6R)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
N-[2-[(2S,5R,6R)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide
[(3aR,4R,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-fluorophenyl)methanone
[(3aS,4S,9bS)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-fluorophenyl)methanone
3-[2-[(E)-[1-[2-(2-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
N-[(2R,3S,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3S,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3R,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[2-[(2S,5R,6S)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
N-[2-[(2R,5S,6R)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
N-[2-[(2R,5R,6R)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
N-[2-[(2R,5R,6S)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
N-[2-[(2R,5S,6S)-5-[[(2-fluorophenyl)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
C23H25FN2O6 (444.16965619999996)
[(3aR,4S,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-fluorophenyl)methanone
4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid glucuronide
C20H28O11 (444.16315380000003)
D-mannopyranosyl-(1->5)-D-arabinofuranosyl-(1->2)-D-arabinofuranose
7-[[2-(2,5-Dioxo-4-phenylimidazolidin-4-yl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione
(4R,4aR,5R,5aR,6S,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
C22H24N2O8 (444.15325839999997)
1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside
Difenacoum
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
BMS-687453
C22H21ClN2O6 (444.10880760000003)
BMS-687453 is a potent and selective PPARα agonist, with an EC50 and IC50 of 10 nM and 260 nM for human PPARα and 4100 nM and >15000 nM for PPARγ in PPAR-GAL4 transactivation assays.
(4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboximidic acid
C22H24N2O8 (444.15325839999997)
[(1s,7s,16r,18r,19r)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl]acetic acid
5-hydroxy-3-(4-methoxyphenyl)-7-{[(1r,2r,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}chromen-4-one
(1r,4r,5r,6r,7r,8r,11r,13s,16s,17s,18s,19r)-4,5,6,7,8,16,17-heptahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
C20H28O11 (444.16315380000003)
(2s)-n-[(1z)-2-(5-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-carboxylate
(2r,3r,4s,5s,6r)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
methyl 5-ethenyl-4-(4-methoxy-4-oxobut-1-en-1-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
C20H28O11 (444.16315380000003)
1-(4-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)ethanone
C20H28O11 (444.16315380000003)
3-[4-(1h-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-1h-indol-5-ol
methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
(2r)-1-[(1s,2s)-2-[(s)-(acetyloxy)[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}phenyl)ethanone
C20H28O11 (444.16315380000003)
(1r,3e,6s,17r)-17-chloro-6,10,21-trihydroxy-4,18,18-trimethyl-7-methylidene-19-oxatetracyclo[10.7.1.1⁹,¹³.0¹,¹⁵]henicosa-3,9,11,13(21),15-pentaene-14,20-dione
(1r,7s,11s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione
3-[3-hydroxy-2-(2-hydroxypropan-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
C20H28O11 (444.16315380000003)
(2s)-1-hydroxy-3-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propan-2-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
11144737
C20H28O11 (444.16315380000003)
{"Ingredient_id": "HBIN000288","Ingredient_name": "11144737","Alias": "NA","Ingredient_formula": "C20H28O11","Ingredient_Smile": "COC(=O)CC=CC1C(C(OC=C1C(=O)OC)OC2C(C(C(C(O2)CO)O)O)O)C=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "636","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4'-hydroxyacetophenone,8ci; o-[alpha-l-rhamnopyranosyl-(1→2)-beta-d-glucopyranoside]
C20H28O11 (444.16315380000003)
{"Ingredient_id": "HBIN010504","Ingredient_name": "4'-hydroxyacetophenone,8ci; o-[alpha-l-rhamnopyranosyl-(1\u21922)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C20H28O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7826","PubChem_id": "NA","DrugBank_id": "NA"}
(3r)-3-[4-(1h-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-3h-indol-2-ol
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-5-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
11,12,16-trimethyl (1s,12s,13r)-6,8-dioxa-11,20-diazapentacyclo[10.5.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosa-2(10),3,5(9),16-tetraene-11,12,16-tricarboxylate
C22H24N2O8 (444.15325839999997)
{1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl}acetic acid
7-{[(3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl (2s)-2-phenylpropanoate
C20H28O11 (444.16315380000003)
1,3-dihydroxy-8-propyl-6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}anthracene-9,10-dione
3-chloro-10a-(3,7-dimethylocta-2,6-dien-1-yl)-6,8-dihydroxy-2,2-dimethyl-3h-naphtho[2,3-b]pyran-5,10-dione
C25H29ClO5 (444.17034140000004)
7-methyl-1-[(3,4,5-trihydroxy-6-{[(3-oxobutanoyl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C20H28O11 (444.16315380000003)
(2r,3r,4s,5r,6r)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-6-({[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
1,4-dimethyl 2-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]butanedioate
(10r,11s,15r,16s)-16-hydroxy-2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
1-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 2-phenylpropanoate
C20H28O11 (444.16315380000003)
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
1-[(1s,2s)-2-[(s)-(acetyloxy)[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3s,4s,7s,8s,9s,10s,11s)-7-(chloromethyl)-3,7,10-trihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2e)-2-methylbut-2-enoate
7,7'-diacetyl-1',8,8'-trihydroxy-6,6'-dimethyl-[2,2'-binaphthalene]-1,4-dione
(2r,3r,4s,5s,6r)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
(2r,3r,4s,5r,6r)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-6-({[(2s,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
1-(4-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)ethanone
C20H28O11 (444.16315380000003)
16-hydroxy-8-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),2,7-trien-12-one
(2s)-n-[(1z)-2-(6-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
(10r,11r,15r,16r)-16-hydroxy-2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
[6-(4-acetylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
5-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4,6,7-trimethoxy-2h-1,3-benzodioxole
14-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
3-[4-(1h-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-3h-indol-2-ol
(6r,7r)-3-[(1e)-3-(acetyloxy)prop-1-en-1-yl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl 2,4-dihydroxy-6-methylbenzoate
(2s)-1-[(1s,2s)-2-[(s)-(acetyloxy)[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
14-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
1,4-dimethyl (2r,3r)-2-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]butanedioate
9-methoxy-7-(2-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
1-{2-[(acetyloxy)(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl}-1-oxopropan-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
3-(2h-1,3-benzodioxol-5-yl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione
(1s,7s,11s,19r,20r,23r)-3,17,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione
(1r,4ar,7s,7as)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-{[(3-oxobutanoyl)oxy]methyl}oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
C20H28O11 (444.16315380000003)
3,4,5-trihydroxy-6-(2-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propoxy)oxane-2-carboxylic acid
(2r)-n-[(1z)-2-(5-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
5-[(1s,3ar,4s,6ar)-4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4,6,7-trimethoxy-2h-1,3-benzodioxole
6,8-dihydroxy-3-(4-methoxyphenyl)-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4h-naphthalen-1-one
(1r,5s,6r,14r)-5,6,14-trihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,9,11,15(20),16,18-hexaen-13-one
methyl (4s,5r,6s)-5-ethenyl-4-[(1e)-4-methoxy-4-oxobut-1-en-1-yl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
C20H28O11 (444.16315380000003)
3-[(2r,3s)-3-hydroxy-2-(2-hydroxypropan-2-yl)-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
C20H28O11 (444.16315380000003)
(4s,4as,5as,6s,12ar)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboximidic acid
C22H24N2O8 (444.15325839999997)
methyl (2r)-2-({3-[(1r)-1,2-dihydroxy-2-methylpropyl]-4-hydroxyphenyl}methyl)-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
(1s,12s,15r,17r,19s)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.0¹,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-3,5,7,9-tetraene-2,11,13-trione
n-[2-(6-bromo-1h-indol-3-yl)ethenyl]-2-isopropyl-4-oxo-5-(sec-butyl)-3h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
4,5,6,7,8,16,17-heptahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
C20H28O11 (444.16315380000003)
1,4-dimethyl (2s,3s)-2-(2h-1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]butanedioate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-carboxylate
1-(4-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)ethanone
C20H28O11 (444.16315380000003)
5,6,14-trihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,9,11,15(20),16,18-hexaen-13-one
n-[2-(5-bromo-1h-indol-3-yl)ethenyl]-2-isopropyl-4-oxo-5-(sec-butyl)-3h-imidazole-2-carboximidic acid
C21H25BrN4O2 (444.11607699999996)
7-(chloromethyl)-3,7,10-trihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylbut-2-enoate
1,3-dihydroxy-8-propyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]anthracene-9,10-dione
(2r,3r,4r,6r,11'r,15'r)-3,4'-dihydroxy-6-methyl-2',9',13'-trioxo-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-1'(10'),3',5',7'-tetraen-4-yl acetate
(3r,10ar)-3-chloro-10a-(3,7-dimethylocta-2,6-dien-1-yl)-6,8-dihydroxy-2,2-dimethyl-3h-naphtho[2,3-b]pyran-5,10-dione
C25H29ClO5 (444.17034140000004)
(1s,3s,6r,8r,9s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(10r,11s,15r,16r)-16-hydroxy-2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
16-hydroxy-2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboximidic acid
C22H24N2O8 (444.15325839999997)
(10r,11r,15r,16s)-16-hydroxy-2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
17-chloro-6,10,21-trihydroxy-4,18,18-trimethyl-7-methylidene-19-oxatetracyclo[10.7.1.1⁹,¹³.0¹,¹⁵]henicosa-3,9,11,13(21),15-pentaene-14,20-dione
(4s,4as,5as,6s,12as)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboximidic acid
C22H24N2O8 (444.15325839999997)
2-{[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
11,12,16-trimethyl (1r,12s,13r)-6,8-dioxa-11,20-diazapentacyclo[10.5.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosa-2(10),3,5(9),16-tetraene-11,12,16-tricarboxylate
C22H24N2O8 (444.15325839999997)
6-(3,4-dihydroxyphenyl)-5-(3,5-dihydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethenyl]cyclohept-2-en-1-one
(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(4-ethenyl-2-methoxyphenoxy)oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
(3r,10ar)-3-chloro-10a-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-2,2-dimethyl-3h-naphtho[2,3-b]pyran-5,10-dione
C25H29ClO5 (444.17034140000004)
(1s,2s,3s,6r,8r,9s,10s)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
(1s,2s,3s,6r,8r,9s,10r)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one
7-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
6,8-dihydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4h-naphthalen-1-one
(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (2r)-2-(acetyloxy)-3-hydroxy-3-methylbutanoate
C20H28O11 (444.16315380000003)
3-[(2r,3s)-3-hydroxy-2-(2-hydroxypropan-2-yl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
C20H28O11 (444.16315380000003)
[(2r,3s,4s,5r,6s)-6-(4-acetylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
methyl 3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate
(1r,3e,6e,17r)-17-chloro-10,21-dihydroxy-7-(hydroxymethyl)-4,18,18-trimethyl-19-oxatetracyclo[10.7.1.1⁹,¹³.0¹,¹⁵]henicosa-3,6,9(21),10,12,15-hexaene-14,20-dione
(2r,3s,4s,7s,8s,9s,10s,11s)-7-(chloromethyl)-3,7,10-trihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate
(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
11,12,16-trimethyl 6,8-dioxa-11,20-diazapentacyclo[10.5.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosa-2(10),3,5(9),16-tetraene-11,12,16-tricarboxylate
C22H24N2O8 (444.15325839999997)
17-chloro-10,21-dihydroxy-7-(hydroxymethyl)-4,18,18-trimethyl-19-oxatetracyclo[10.7.1.1⁹,¹³.0¹,¹⁵]henicosa-3,6,9(21),10,12,15-hexaene-14,20-dione
methyl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy]oxane-2-carboxylate
(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-hydroxy-5-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(4-ethenyl-2-methoxyphenoxy)oxane-3,4,5-triol
C20H28O11 (444.16315380000003)
3-[3-(acetyloxy)prop-1-en-1-yl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl 2,4-dihydroxy-6-methylbenzoate
(10r,11r,15r,16r)-16-hydroxy-8-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),2,7-trien-12-one
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-(acetyloxy)-3-hydroxy-3-methylbutanoate
C20H28O11 (444.16315380000003)