Exact Mass: 534.1585
Exact Mass Matches: 534.1585
Found 463 metabolites which its exact mass value is equals to given mass value 534.1585
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
CERCOSPORIN
An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. CONFIDENCE isolated standard
Aprepitant
Aprepitant, an antiemetic, is a substance P/neurokinin 1 (NK1) receptor antagonist which, in combination with other antiemetic agents, is indicated for the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CI NV). A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Aprepitant (MK-0869) is a selective and high-affinity neurokinin 1 receptor antagonist with a Kd of 86 pM.
Isosyringinoside
Isosyringinoside is found in herbs and spices. Isosyringinoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). Isosyringinoside is found in herbs and spices.
Ceftobiprole
Delamanid
ent-Aprepitant
piperaquine
Ruberythric acid
Sulfosuccinimidyl 6-(biotinamido)hexanoate
6,8-Di-C-beta-D-arabinopyranosylapigenin
6,8-di-c-beta-d-arabinopyranosylapigenin is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 6,8-di-c-beta-d-arabinopyranosylapigenin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6,8-di-c-beta-d-arabinopyranosylapigenin can be found in tea, which makes 6,8-di-c-beta-d-arabinopyranosylapigenin a potential biomarker for the consumption of this food product.
Apigenin 6-C-α-L-arabinopyranosyl-8-C-β-D-xylopyranoside
Apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-xylopyranoside is a natural product found in Viola philippica with data available.
5,7,4-Trihydroxyflavone 6-C-xylopyranoside-8-C-arabinopyranoside
3,5,7,3,4-Pentahydroxy-6-prenylflavanone 7-glucoside
Parthenosin
Okanin 4-O-(4,6-di-O-acetylglucoside)
6,9-Dihydroxy-2,310-trimethoxy-6a,12a-didehydrorotenone 9-O-glucoside
6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin
6-O-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl- (1->3) -xyloside
Aerucyclamide A
CONFIDENCE standard compound; UCHEM_ID 4363; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk)
epiphyllic acid-7-O-beta-glucoside-10-methyl ester
2-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]isopropyl alchohol|2-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]isopropyl alcohol|eryciboside G
3t-[6-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-benzofuran-5-yl]-acrylic acid|3t-[6-(Tetra-O-acetyl-beta-D-glucopyranosyloxy)-benzofuran-5-yl]-acrylsaeure|psoralic acid-(6<--1)-O-beta-D-glucopyranoside acetate
apigenin-7-O-beta-D-apiofuranosyl-(1->2)-beta-D-apiofuranoside
6-beta-C-(2-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|6-beta-C-(2-O-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|6-??-C-(2-Galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone
1-O-[(E)-3,4-dihydroxy-5-methoxycinnamoyl]gentiobiose
5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside
8-beta-C-(2-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|8-beta-C-(2-O-galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone|8-??-C-(2-Galloylglucopyranosyl)-5,7-dihydroxy-2-isopropylchromone
4,5-di-O-(4-hydroxy-3,5-methoxy-benzoyl)-shikimic acid
7-hydroxy-3,5,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside
7-hydroxy-5,6,8-trimethoxy-3,4-(methylenedioxy)flavone-7-O-beta-glucopyranoside
2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxybenzofuran-5-propenoic acid 4-O-beta-D-glucopyranoside|aegineoside
2-(3-methylbutyryl)phloroglucinol-4,6-di-C-beta-D-glucopyranoside
2,5-dihydroxy-4-methoxyphenanthrene 2-O-beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside|denneanoside E
(S(a),6S,7S,8S)-6-[(benzoyl)oxy]-6,7,8,9,9,18,18-heptahydro-1,2,3,14-tetramethoxy-8-methyl-spiro[dibenzo[a,c]cyclooctene-7,17-oxirane]|schisandrin A1|schisphenlignan D
(5aS)-5c,13c-diacetoxy-7a,15a-bis-methylsulfanyl-(5ar,7at,13ac,15at)-5,5a,7a,8,13,13a,15a,16-octahydro-bis(oxepino[3,4:4,5]pyrrolo)[1,2-a;1,2-d]pyrazine-7,15-dione|bisdethiobis(methylthio)acetylaranotin|bisdethiodi(methylthio)acetylaranotin|Didethiodi(methylthio)acetylaranotin|O-acetyl-S,S-dimethyl-S,S-dihydro-aranotin|S,S-Seco-S,S-dimethyl-acetylaranotin
4-O-(beta-D-Arabinopyranosl-beta-D-galactopyranoside)- 3,4-Dihydroxychalcone
genipin 1-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside
6-O-p-coumaroylgeniposide|6-O-trans-p-coumaroylgeniposide
Me glycoside,2,3-O-isopropylidene,tri-Ac,Me ester-4-O-beta-D-Glucopyranuronosyl-L-rhamnose
Hexa-Ac-beta-Pyranose-4-O-alpha-D-Xylopyranosyl-D-xylose|Hexa-Ac-beta-Pyranose-Xylobiose
2, 4, 5, 7, 8, 9-Hexa-Ac, Me ester-3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid, 9CI
isopsoralic acid-(4<--1)-O-beta-D-glucopyranoside acetate
6-C-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
Me glycoside,penta-Ac-4-O-alpha-L-Fucopyranosyl-L-fucose
Thr Tyr His Asp
Tyr Ser His Glu
3,4-Dihydroxychalcone 4-beta-L-arabinopyranosyl-(1->4)-galactoside
Apigenin-6-C-β-D-xylopyranosyl-8-C-α-L-arabinopyranoside
Apigenin6-C-α-L-arabinopyranosyl-8-C-β-D-xylopyranoside
Apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-D-xylopyranoside is a natural product found in Viola philippica with data available.
Aprepitant
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Aprepitant (MK-0869) is a selective and high-affinity neurokinin 1 receptor antagonist with a Kd of 86 pM.
Conivaptan HCl
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2180 - Vasopressin Antagonist D045283 - Natriuretic Agents > D065092 - Antidiuretic Hormone Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid
C26H30O12_Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-1-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, methyl ester
C23H34O14_(2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propen-1-yl beta-D-glucopyranoside
C22H27ClO13_(1R,4S,5R,6S,7R,8S)-5-Chloro-9-(beta-D-glucopyranosyloxy)-4-hydroxy-2,10-dioxatricyclo[5.3.1.0~4,8~]undec-6-yl 3,4-dihydroxybenzoate
(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based: Match]
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one [IIN-based on: CCMSLIB00000846878]
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid [IIN-based: Match]
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid [IIN-based on: CCMSLIB00000848198]
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol_major
(2R,3R,4S,5S,6R)-2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Cys Cys Phe Tyr
Cys Cys Tyr Phe
Cys Glu Phe His
Cys Glu His Phe
Cys Phe Cys Tyr
Cys Phe Glu His
Cys Phe His Glu
Cys Phe Tyr Cys
Cys His Glu Phe
Cys His Phe Glu
Cys Ser Tyr Tyr
Cys Tyr Cys Phe
Cys Tyr Phe Cys
Cys Tyr Ser Tyr
Cys Tyr Tyr Ser
Asp His Thr Tyr
Asp His Tyr Thr
Asp Asn Thr Trp
Asp Asn Trp Thr
Asp Gln Ser Trp
Asp Gln Trp Ser
Asp Ser Gln Trp
Asp Ser Trp Gln
Asp Thr His Tyr
Asp Thr Asn Trp
Asp Thr Trp Asn
Asp Thr Tyr His
Asp Trp Asn Thr
Asp Trp Gln Ser
Asp Trp Ser Gln
Asp Trp Thr Asn
Asp Tyr His Thr
Asp Tyr Thr His
Glu Cys Phe His
Glu Cys His Phe
Glu Glu Glu Glu
Glu Phe Cys His
Glu Phe His Cys
Glu His Cys Phe
Glu His Phe Cys
Glu His Ser Tyr
Glu His Tyr Ser
Glu Asn Ser Trp
Glu Asn Trp Ser
Glu Ser His Tyr
Glu Ser Asn Trp
Glu Ser Trp Asn
Glu Ser Tyr His
Glu Trp Asn Ser
Glu Trp Ser Asn
Glu Tyr His Ser
Glu Tyr Ser His
Phe Cys Cys Tyr
Phe Cys Glu His
Phe Cys His Glu
Phe Cys Tyr Cys
Phe Glu Cys His
Phe Glu His Cys
Phe His Cys Glu
Phe His Glu Cys
Phe Tyr Cys Cys
His Cys Glu Phe
His Cys Phe Glu
His Asp Thr Tyr
His Asp Tyr Thr
His Glu Cys Phe
His Glu Phe Cys
His Glu Ser Tyr
His Glu Tyr Ser
His Phe Cys Glu
His Phe Glu Cys
His Ser Glu Tyr
His Ser Tyr Glu
His Thr Asp Tyr
His Thr Tyr Asp
His Tyr Asp Thr
His Tyr Glu Ser
His Tyr Ser Glu
His Tyr Thr Asp
Asn Asp Thr Trp
Asn Asp Trp Thr
Asn Glu Ser Trp
Asn Glu Trp Ser
Asn Ser Glu Trp
Asn Ser Trp Glu
Asn Thr Asp Trp
Asn Thr Trp Asp
Asn Trp Asp Thr
Asn Trp Glu Ser
Asn Trp Ser Glu
Asn Trp Thr Asp
Gln Asp Ser Trp
Gln Asp Trp Ser
Gln Ser Asp Trp
Gln Ser Trp Asp
Gln Trp Asp Ser
Gln Trp Ser Asp
Ser Cys Tyr Tyr
Ser Asp Gln Trp
Ser Asp Trp Gln
Ser Glu His Tyr
Ser Glu Asn Trp
Ser Glu Trp Asn
Ser Glu Tyr His
Ser His Glu Tyr
Ser His Tyr Glu
Ser Asn Glu Trp
Ser Asn Trp Glu
Ser Gln Asp Trp
Ser Gln Trp Asp
Ser Trp Asp Gln
Ser Trp Glu Asn
Ser Trp Asn Glu
Ser Trp Gln Asp
Ser Tyr Cys Tyr
Ser Tyr Glu His
Ser Tyr His Glu
Ser Tyr Tyr Cys
Thr Asp His Tyr
Thr Asp Asn Trp
Thr Asp Trp Asn
Thr Asp Tyr His
Thr His Asp Tyr
Thr His Tyr Asp
Thr Asn Asp Trp
Thr Asn Trp Asp
Thr Trp Asp Asn
Thr Trp Asn Asp
Thr Tyr Asp His
Trp Asp Asn Thr
Trp Asp Gln Ser
Trp Asp Ser Gln
Trp Asp Thr Asn
Trp Glu Asn Ser
Trp Glu Ser Asn
Trp Asn Asp Thr
Trp Asn Glu Ser
Trp Asn Ser Glu
Trp Asn Thr Asp
Trp Gln Asp Ser
Trp Gln Ser Asp
Trp Ser Asp Gln
Trp Ser Glu Asn
Trp Ser Asn Glu
Trp Ser Gln Asp
Trp Thr Asp Asn
Trp Thr Asn Asp
Tyr Cys Cys Phe
Tyr Cys Phe Cys
Tyr Cys Ser Tyr
Tyr Cys Tyr Ser
Tyr Asp His Thr
Tyr Asp Thr His
Tyr Glu His Ser
Tyr Glu Ser His
Tyr Phe Cys Cys
Tyr His Asp Thr
Tyr His Glu Ser
Tyr His Ser Glu
Tyr His Thr Asp
Tyr Ser Cys Tyr
Tyr Ser Glu His
Tyr Ser Tyr Cys
Tyr Thr Asp His
Tyr Thr His Asp
Tyr Tyr Cys Ser
Tyr Tyr Ser Cys
Isosyringinoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
Delamanid
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
piperaquine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-(biphenyl-4-yl)-4,6-diphenylpyrylium perchlorate
Bis(cyclopenta-1,3-diene)bis(1-(2,4-difluorophenyl)-3H-pyrrol-3-yl)titanium
Trisiloxane, 3,3-(1,2-ethanediyl)bis[3-[(diMethylsilyl)oxy]-1,1,5,5-tetraMethyl-
Ceftobiprole
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
1-Benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxidoiminoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-1-ium-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(Z)-(2-oxo-1-pyrrolidin-3-ylpyrrolidin-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
4-[3,5-Bis(benzyloxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
3-(1,3-benzodioxol-5-yl)-1-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
Ethyl 2-[4-[(7-chloro-4-quinolyl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate
N-[(1R,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin
1-benzoyl-N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-2-methyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(4R,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(4R,5S)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(4R,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(4S,5S)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
ustilaginoidin I
A binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-(hydroxymethyl)-2,3-dihydro-4H-benzo[g]chromen-4-one and (6S)-5,6,8-trihydroxy-2-methyl-6,9-dihydro-4H-benzo[g]chromen-4-one.
6-[2-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-4-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[(8,11-Dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
6-[4-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-8-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside
3-[4-hydroxy-5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(2-oxochromen-7-yl)oxypropanoic acid
1,2,3,4-Cyclopentanetetracarboxylic acid tetra(trimethylsilyl) ester
6-C-(alpha-L-arabinosyl)-8-C-(beta-L-arabinosyl)apigenin
A flavone C-glycoside that consists of apigenin carrying alpha-L-arabinosyl and beta-L-arabinosyl groups at positions 6 and 8 respectively
BMS-986188
BMS-986188 is a selective positive allosteric modulator of δ-opioid receptor with an EC50 of 0.05 μM[1].
UPGL00004
UPGL00004 is a potent allosteric glutaminase C (GAC) inhibitor (IC50=29 nM; Kd=27 nM). UPGL00004 strongly inhibits the proliferation of highly aggressive triple-negative breast cancer cell lines[1].
8-[(1r,2r)-2-hydroxy-1-{[(1s,2r)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl]oxy}-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
4-[6-(acetyloxy)-2,2-dimethylbenzo[h]chromen-5-yl]-2,2-dimethylbenzo[h]chromen-6-yl acetate
{3,4,5-trihydroxy-6-[3-(3-oxo-1h-2-benzofuran-1-yl)propoxy]oxan-2-yl}methyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-8-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
methyl (2s,3r,4r,5s,6r)-3-(acetyloxy)-2-hydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
2-(benzoyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl benzoate
3-(6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
[(9s)-4,5,9-trihydroxy-10-oxo-9-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-2-yl]methyl (2r,3s)-3-hydroxy-2-methylbutanoate
7-methyl-4,18-bis(sec-butyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),14,16,19(22)-heptaene-2,9,16-triol
(2r)-2-amino-4-{4-[(e)-{[(3s)-1-[carboxy(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]-c-hydroxycarbonimidoyl}(hydroxyimino)methyl]phenoxy}butanoic acid
2-(1-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}hexyl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione
9,17-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(15),2,4(22),5,8,10,16,18(23),20-nonaene-7,19-dione
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]-6-[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
2-(5,7-dihydroxy-2-isopropyl-4-oxochromen-6-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
7,19-dihydroxy-5,21-bis[(2s)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione
16-(acetyloxy)-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.0³,¹².0⁴,¹⁰.0¹⁵,²¹]docosa-6,9,17,20-tetraen-5-yl acetate
3-(4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1-benzofuran-5-yl)prop-2-enoic acid
6-c-β-l-arabinopyranosyl-8-c-α-l-arabinopyra-nosylapigenin
{"Ingredient_id": "HBIN012288","Ingredient_name": "6-c-\u03b2-l-arabinopyranosyl-8-c-\u03b1-l-arabinopyra-nosylapigenin","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1560","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-γ,γ-dimethylallyltaxifolin 7-o-β-d-glucoside
{"Ingredient_id": "HBIN012842","Ingredient_name": "6-\u03b3,\u03b3-dimethylallyltaxifolin 7-o-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C26H30O12","Ingredient_Smile": "CC(=CCC1=C(C=C2C(=C1O)C(=O)C(C(O2)C3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6310","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-6-c-α-l-arabinopyranosyl-8-c-β-d-xylopyranoside
{"Ingredient_id": "HBIN016423","Ingredient_name": "apigenin-6-c-\u03b1-l-arabinopyranosyl-8-c-\u03b2-d-xylopyranoside","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14329","TCMID_id": "1481","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-6-c-α-l-arabinopyranosyl-8-c-β-l-arabinopyranoside
{"Ingredient_id": "HBIN016424","Ingredient_name": "apigenin-6-c-\u03b1-l-arabinopyranosyl-8-c-\u03b2-l-arabinopyranoside","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "C1C(C(C(C(O1)C2=C(C3=C(C(=C2O)C4C(C(C(CO4)O)O)O)OC(=CC3=O)C5=CC=C(C=C5)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14328","TCMID_id": "1480","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-6-c-β-d-xylopyranosyl-8-c-α-l-arabi-nopyranoside
{"Ingredient_id": "HBIN016429","Ingredient_name": "apigenin-6-c-\u03b2-d-xylopyranosyl-8-c-\u03b1-l-arabi-nopyranoside","Alias": "NA","Ingredient_formula": "C25H26O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14337","TCMID_id": "1501","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bismurrangatin
{"Ingredient_id": "HBIN018631","Ingredient_name": "bismurrangatin","Alias": "NA","Ingredient_formula": "C30H30O9","Ingredient_Smile": "CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC(C3=C(C=CC4=C3OC(=O)C=C4)OC)C(C(=C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2485","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}