Exact Mass: 450.1373
Exact Mass Matches: 450.1373
Found 500 metabolites which its exact mass value is equals to given mass value 450.1373
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Auriculoside
A flavan glycoside that is (2S)-flavan substituted by a methoxy group at position 4, hydroxy groups at positions 7 and 5 and a beta-D-glucopyranosyloxy group at position 3 respectively.
Empagliflozin
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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Melleolide L
Melleolide L is found in mushrooms. Melleolide L is a metabolite of Armillariella mellea (honey mushroom Metabolite of Armillariella mellea (honey mushroom). Melleolide L is found in mushrooms.
4-androsten-3beta,17beta-diol disulfate
4-Androsten-3beta,17beta-diol disulfate, also known as 4-androsten-3β,17β-diol disulfate, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 4-Androsten-3beta,17beta-diol disulfate is considered to be a practically insoluble (in water) and an extremely strong acidic compound. Human plasma levels of 4-androsten-3beta,17beta-diol disulfate were reported to be influenced by genetic variants in the gene SULT2A1 which codes for the enzyme dehydroepiandrosterone sulfotransferase (PMID: 24816252).
Empagliflozin
N-(2-((6-Chloro-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl)amino)ethyl)acetamide
Suvorexant
12beta-hydroxychaetoviridin C
An azaphilone that is the 12beta-hydroxy derivative of chaetoviridin C. It has been isolated from Chaetomium globosum.
8-desacyl enhydrin-(2,3-epoxyisobutyrate)|8-desacyl enhydrin-<2,3-epoxyisobutyrate>
glochicoccin B|methyl (2S,3aR,4S,4S,5R,6S,7aR)-decahydro-3a,4-dihydroxy-4-[(4-hydroxybenzoyl)oxy]-5-methyl-3-oxo-3H-spiro[1-benzofuran-2,2-pyran]-6-carboxylate
2-methoxy-4,6-dihydroxy-alpha-chalcanol-alpha,beta-epoxide-4-O-beta-D-glucopyranoside|trifochalcanoloside I
(2-Hydroxymethyl-phenyl)-(O6-veratroyl-beta-D-glucopyranosid)|(2-hydroxymethyl-phenyl)-(O6-veratroyl-beta-D-glucopyranoside)|2-(O6-Veratroyl-beta-D-glucopyranosyloxy)-benzylalkohol|Glycosmin
(2S,3R)-3,10-dimethoxy-9-O-(6-methoxy-2-hydroxymethyldihydrobenzofuran-3-yl)-dibenz--pyran-6-one
8-(2-hydroxybenzyl-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one|8-C-(o-hydroxybenzyl)pachypodol|miliufavol
3-oxo-10alphaH-stilpnotomentolide-8-O-(5-hydroxysenecioate)|3-oxo-10alphaH-stilpnotomentolide-8-O-<5-hydroxysenecioate>
benzyl 2-beta-O-D-glucopyranosyl-3,6-dimethoxybenzoate
2-(4-hydroxyphenyl)ethyl 2-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside E
(6aS,7aR,8S,9R,11aR,11bS)-5-chloro-7a-hydroxy-3-[(1E,3R,4R)-4-hydroxy-3-methylpent-1-en-1-yl]-6a,8,9-trimethyl-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3,4:4,5]furo[2,3-h]-2-benzopyran-6,11-dione|4-epichaetomugilin A
3,4,5-trimethoxyphenol O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
rumexneposide B|torachrysone-8-O-b-D-(60-O-acetyl)glucopyranoside
2-methyl-4-oxo-4H-pyran-3-yl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|petrorhagioside B
2-methyl-4-oxo-4H-pyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|petrorhagioside D
2,4-dihydroxy-4?-methoxy-6?-O-beta-glucopyranoside dihydrochalcone
1-(4-hydroxy-2,5-dimethylphenyl)-6-vanilloyl-beta-D-glucopyranose|dunnianoside B
8-desacyl enhydrin-(4-hydroxymethacrylate)|8-desacyl enhydrin-<4-hydroxymethacrylate>
2-(3,4-dihydroxyphenyl)ethyl 2-O-(4-hydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside B
12-hydroxycycloartobiloxanthone|artoindonesianin Z-2
1-hydroxy-3,6-dimethoxy-2-beta-D-glucopyranosyloxyxanthone
2-hydroxy-1,4-dimethoxy-7-O-beta-D-glucopyranosylxanthone|prunifloroside A
7-beta-D-Glucopyranosyloxy-1-hydroxy-3,8-dimethyoxyxanthone
3-hydroxy-5-methoxyphenol-2-O-beta-apiofuranosyl-(1->2)-beta-glucopyranoside
2-[hydroperoxy-(4-glucosyl-hydroxyphenyl)methyl]-6-hydroxy-1-benzofuran-3-one
Taxifolin 7-O-rhamnoside
Taxifolin 7-O-rhamnoside is a natural product found in Hypericum japonicum with data available. Taxifolin 7-O-rhamnoside (Taxifolin 7-O-α-L-rhamnoside) is a flavonoid isolated from Hypericum japonicum.
Flavanomarein
Acquisition and generation of the data is financially supported in part by CREST/JST. Flavanomarein is a natural product found in Abies pindrow with data available. Flavanomarein is a predominant flavonoid of Coreopsis tinctoria Nutt with protective effects against diabetic nephropathy. Flavanomarein has good antioxidative, antidiabetic, antihypertensive and anti-hyperlipidemic activities[1][2].
Eriodictyol-7-glucoside
Acquisition and generation of the data is financially supported in part by CREST/JST. Eriodictyol-7-O-glucoside (Eriodictyol 7-O-β-D-glucoside), a flavonoid, is a potent free radical scavenger. Eriodictyol-7-O-glucoside is also an Nrf2 activator, confers protection against Cisplatin-induced toxicity[1]. Eriodictyol-7-O-glucoside (Eriodictyol 7-O-β-D-glucoside), a flavonoid, is a potent free radical scavenger. Eriodictyol-7-O-glucoside is also an Nrf2 activator, confers protection against Cisplatin-induced toxicity[1].
Isookanin-7-glucoside
Flavanomarein is a predominant flavonoid of Coreopsis tinctoria Nutt with protective effects against diabetic nephropathy. Flavanomarein has good antioxidative, antidiabetic, antihypertensive and anti-hyperlipidemic activities[1][2].
diltiazem hydrochloride
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
C20H22N2O10_Uridine, 2-acetate 3-(4-hydroxy-2-methoxy-6-methylbenzoate)
C22H26O10_[(1S)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
C21H22O11_2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl beta-D-glucopyranoside
C22H26O10_1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)
C20H22N2O10_2,4(1H,3H)-Pyrimidinedione, 1-[2-O-acetyl-3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)pentofuranosyl]
C23H22N4O6_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-1,9-dihydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)
C18H26O13_Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-, dimethyl ester, (1S,4aS,6R,7R,7aS)
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
[(1S)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]
[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate_major
[4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate_70.6\\%
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one_major
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one_major
Ala Cys Glu Glu
Ala Asp Asp Met
Ala Asp Met Asp
Ala Glu Cys Glu
Ala Glu Glu Cys
Ala Met Asp Asp
Cys Ala Glu Glu
Cys Cys Glu Pro
Cys Cys Pro Glu
Cys Asp Asp Val
Cys Asp Val Asp
Cys Glu Ala Glu
Cys Glu Cys Pro
Cys Glu Glu Ala
Cys Glu Pro Cys
Cys Asn Asn Thr
Cys Asn Gln Ser
Cys Asn Ser Gln
Cys Asn Thr Asn
Cys Pro Cys Glu
Cys Pro Glu Cys
Cys Gln Asn Ser
Cys Gln Ser Asn
Cys Ser Asn Gln
Cys Ser Gln Asn
Cys Thr Asn Asn
Cys Val Asp Asp
Asp Ala Asp Met
Asp Ala Met Asp
Asp Cys Asp Val
Asp Cys Val Asp
Asp Asp Ala Met
Asp Asp Cys Val
Asp Asp Asp Ser
Asp Asp Met Ala
Asp Asp Ser Asp
Asp Asp Val Cys
Asp Glu Gly Met
Asp Glu Met Gly
Asp Gly Glu Met
Asp Gly Met Glu
Asp Met Ala Asp
Asp Met Asp Ala
Asp Met Glu Gly
Asp Met Gly Glu
Asp Ser Asp Asp
Asp Val Cys Asp
Asp Val Asp Cys
Glu Ala Cys Glu
Glu Ala Glu Cys
Glu Cys Ala Glu
Glu Cys Cys Pro
Glu Cys Glu Ala
Glu Cys Pro Cys
Glu Asp Gly Met
Glu Asp Met Gly
Glu Glu Ala Cys
Glu Glu Cys Ala
Glu Gly Asp Met
Glu Gly Met Asp
Glu Met Asp Gly
Glu Met Gly Asp
Glu Pro Cys Cys
Gly Asp Glu Met
Gly Asp Met Glu
Gly Glu Asp Met
Gly Glu Met Asp
Gly Met Asp Glu
Gly Met Glu Asp
Met Ala Asp Asp
Met Asp Ala Asp
Met Asp Asp Ala
Met Asp Glu Gly
Met Asp Gly Glu
Met Glu Asp Gly
Met Glu Gly Asp
Met Gly Asp Glu
Met Gly Glu Asp
Asn Cys Asn Thr
Asn Cys Gln Ser
Asn Cys Ser Gln
Asn Cys Thr Asn
Asn Asn Cys Thr
Asn Asn Thr Cys
Asn Gln Cys Ser
Asn Gln Ser Cys
Asn Ser Cys Gln
Asn Ser Gln Cys
Asn Thr Cys Asn
Asn Thr Asn Cys
Pro Cys Cys Glu
Pro Cys Glu Cys
Pro Glu Cys Cys
Gln Cys Asn Ser
Gln Cys Ser Asn
Gln Asn Cys Ser
Gln Asn Ser Cys
Gln Ser Cys Asn
Gln Ser Asn Cys
Ser Cys Asn Gln
Ser Cys Gln Asn
Ser Asp Asp Asp
Ser Asn Cys Gln
Ser Asn Gln Cys
Ser Gln Cys Asn
Ser Gln Asn Cys
Thr Cys Asn Asn
Thr Asn Cys Asn
Thr Asn Asn Cys
Val Cys Asp Asp
Val Asp Cys Asp
Val Asp Asp Cys
Maesopsin 6-glucoside
Melleolide L
Isocarthamin
Phloretin 2'-O-glucuronide
((1S)-5-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl benzoate
D-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, disodium salt
1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazolium methyl sulphate
dimethyl benzene-1,3-dicarboxylate,2,3-dimethylterephthalic acid,ethane-1,2-diol
Diethyl [10-(diethoxyphosphoryl)-anthracen-9-yl]phosphonate
Suvorexant
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist D018377 - Neurotransmitter Agents > D000068796 - Orexin Receptor Antagonists N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives
2-iodo-2,4,6-triisopropyl-3-methoxy-6-methyl-1,1-biphenyl
(R)-(4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
Nemorexant
C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist
1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxy-3-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)phenyl)propane-1,3-dione
(4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
Ternstroside B
A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(4-hydroxyphenyl)acetyl]oxy residue at position 2. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
Ternstroside E
A beta-D-glucoside with 2-(4-hydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
chaetomugilin A
An azaphilone isolated from Chaetomium globosum and has been shown to exhibit inhibitory activity against the brine shrimp (Artemia salina) and Mucor miehei.
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide
CGS-12066A maleate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
(5r,6s,8s)-8-[3-(Aminomethyl)phenyl]-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
2,6-Dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
1-[2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)-1-propanone
Eriodictyol-8-C-glucoside
2,3,4,4,6-Pentahydroxychalcone 4-O-beta-D-glucoside
2,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-chromen-4-one
2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-(6-Methoxy-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-[4-(Piperazin-1-Yl)pyridin-3-Yl]-1,3-Thiazole-4-Carboxamide
Asebotoside
4-[4-(4-Methylphenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline
Glycine, N-[2-methoxy-5-[[[(1E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]-, sodium salt (1:1)
3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
[1-(2-Adamantylamino)-1-oxopropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
(2S)-5,7,3,5-tetrahydroxyflavanone-7-O-beta-D-glucopyranoside
A flavanone glycoside that is (2S)-5,7,3,5-tetrahydroxyflavanone attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Jasminum lanceolarium, it exhibits radical scavenging activity.
5-chloro-7a-hydroxy-3-[(1E)-4-hydroxy-3-methylpent-1-en-1-yl]-6a,8,9-trimethyl-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3,4:4,5]furo[2,3-h][2]benzopyran-6,11-dione
fustin 3-O-beta-D-galactoside
A flavanone glycoside that consists of fustin attached to a beta-D-galactosyl moiety at position 3 via a glycosidic linkage.
N-[1,4-dioxo-3-(3-pentyl-1-imidazol-3-iumyl)-2-naphthalenyl]benzenesulfonamide
(2S)-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]-2-azaniumylhexanoate
3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
eriodictyol 7-O-beta-D-glucopyranoside
A flavanone glycoside that is eriodictyol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is an Nrf2 activator and provides protection against cisplatin-induced toxicity.
lysidine monophosphate(1-)
An organophosphate oxoanion that is CMP(2-) in which the 2-keto group on the cytosine ring is substituted by an epsilon-L-lysyl residue. Major structure at pH 7.3 (according to Marvin v. 6.2.0).
Chaetoviridin D
An organic heterotetracyclic compound with formula C23H27ClO7 isolated from Chaetomium globosum. It is a diastereoisomer of chaetomugilin A (which has a significantly different optical rotation).
[(2r,3s,4s,5r,6r)-6-[(2s,3s)-2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
(3s)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzopyran-4-one
[(1s,4ar,5s,7as)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl benzoate
1-(2,6-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
benzyl 3,6-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
5,7-dihydroxy-2-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one
1-hydroxy-2,7-dimethoxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(1s,8r,9r)-1,9-bis(3,4-dihydroxyphenyl)-6,8-dihydroxy-1h,2h,7h,8h,9h,10h-naphtho[2,1-b]pyran-3-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
1-hydroxy-3,4-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-3-one
(4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
4-(acetyloxy)-2-(hydroxymethyl)-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl 2,4-dihydroxy-6-methylbenzoate
(2r,3r)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzopyran-4-one
(2s,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2r,3s,4s,4ar,5as,11r,11as,12as)-11-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3,4,4a,5a,11,11a,12a-octahydro-1,5,10,12-tetraoxatetraphene-3,4,6,8-tetrol
(2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzopyran-4-one
5-[2-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methoxyphenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetate
(2r,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-2-[(5s)-4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexa-1,3-dien-1-yl]chromen-4-one
(2r,3r)-3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
4,9-dihydroxy-2-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-anthracen-1-one
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-(2,6-dihydroxy-4-methoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol
(2r,2as,4ar,7r,7as,7br)-3-formyl-2a,7-dihydroxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
1-(2-hydroxy-4-methoxy-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
2-hydroxy-6-[2-(4-methoxyphenyl)ethyl]-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
1,3-dihydroxy-4,5-dimethoxyxanthone-1-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001189","Ingredient_name": "1,3-dihydroxy-4,5-dimethoxyxanthone-1-o-beta-d-glucopyranoside","Alias": "1,3-dihydroxy-4,5-dimethoxyxanthone-1-o-\u03b2-d-glucopyranoside","Ingredient_formula": "C21H22O11","Ingredient_Smile": "COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3OC)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25907;5846","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,3-dihydroxy-4,5-dimethoxyxanthone-3-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001190","Ingredient_name": "1,3-dihydroxy-4,5-dimethoxyxanthone-3-o-beta-d-glucopyranoside","Alias": "1,3-dihydroxy-4,5-dimethoxyxanthone-3-o-\u03b2-d-glucopyranoside","Ingredient_formula": "C21H22O11","Ingredient_Smile": "COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3OC)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25908;5847","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,2',3,3',4,4'-Tetramethoxy-6,6'-biphenyldicarboxylic acid, dimethyl ester
{"Ingredient_id": "HBIN003634","Ingredient_name": "2,2',3,3',4,4'-Tetramethoxy-6,6'-biphenyldicarboxylic acid, dimethyl ester","Alias": "2-(6-carbomethoxy-2,3,4-trimethoxy-phenyl)-3,4,5-trimethoxy-benzoic acid methyl ester; AIDS-070883; AIDS070883; 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)benzoic acid methyl ester; methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)benzoate; methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)benzoate","Ingredient_formula": "C22H26O10","Ingredient_Smile": "COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C(=C(C=C2C(=O)OC)OC)OC)OC)OC)OC","Ingredient_weight": "450.4 g/mol","OB_score": "22.90498438","CAS_id": "NA","SymMap_id": "SMIT10278","TCMID_id": "NA","TCMSP_id": "MOL009100","TCM_ID_id": "NA","PubChem_id": "471114","DrugBank_id": "NA"}
(2R)- eriodictyol-7-O-β-D- glucopyranoside
{"Ingredient_id": "HBIN006543","Ingredient_name": "(2R)- eriodictyol-7-O-\u03b2-D- glucopyranoside","Alias": "NA","Ingredient_formula": "C21H22O11","Ingredient_Smile": "C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39073","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-5,7,2',5'-tetrahydroxyflavanone7-o-β-d-glucuronopyranoside
{"Ingredient_id": "HBIN006759","Ingredient_name": "(2s)-5,7,2',5'-tetrahydroxyflavanone7-o-\u03b2-d-glucuronopyranoside","Alias": "NA","Ingredient_formula": "C21H22O11","Ingredient_Smile": "C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=CC(=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21095","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S)- eriodictyol-5-O-β-D- glucopyranoside
{"Ingredient_id": "HBIN006802","Ingredient_name": "(2S)- eriodictyol-5-O-\u03b2-D- glucopyranoside","Alias": "NA","Ingredient_formula": "C21H22O11","Ingredient_Smile": "C1C(OC2=CC(=CC(=C2C1=O)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41169","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzyl 2β-o-d-glucopyranosyl-3,6-dimethoxy-benzoate
{"Ingredient_id": "HBIN017836","Ingredient_name": "benzyl 2\u03b2-o-d-glucopyranosyl-3,6-dimethoxy-benzoate","Alias": "NA","Ingredient_formula": "C22H26O10","Ingredient_Smile": "COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2289","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}