Exact Mass: 438.0894908
Exact Mass Matches: 438.0894908
Found 315 metabolites which its exact mass value is equals to given mass value 438.0894908,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Riboflavin cyclic-4',5'-phosphate
Riboflavin cyclic-4,5-phosphate, also known as cfmn or cyclic flavin mononucleotide, is a member of the class of compounds known as flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring. Riboflavin cyclic-4,5-phosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Riboflavin cyclic-4,5-phosphate can be found in a number of food items such as sea-buckthornberry, horseradish tree, malabar spinach, and wild rice, which makes riboflavin cyclic-4,5-phosphate a potential biomarker for the consumption of these food products. Riboflavin cyclic-4,5-phosphate is part of the Glycerolipid metabolism, and RIG-I-like receptor signaling pathway pathways. It is a substrate for: Bifunctional ATP-dependent dihydroxyacetone kinase/FAD-AMP lyase (cyclizing).
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(E)-N-hydroxy-C-(3-methylsulfanylpropyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Silica aerogel
C23H22N2O3S2 (438.10717819999996)
Silica aerogel is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Loquatoside
C20H22O11 (438.11620619999997)
Loquatoside is found in fruits. Loquatoside is a constituent of the fruit of Eriobotrya japonica (loquat). Constituent of the fruit of Eriobotrya japonica (loquat). Loquatoside is found in loquat and fruits.
5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(4-trifluoromethyl-benzyl)-benzamide(KRP297)
C20H17F3N2O4S (438.08610780000004)
5-((2,4-Dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide
C20H17F3N2O4S (438.08610780000004)
Remimazolam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Villinol
Thonningin C
4-Dehydrochebulic acid triethyl ester
C20H22O11 (438.11620619999997)
[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
C20H22O11 (438.11620619999997)
(4S,5E,7Z,12R,14Z,17Z)-4-hydroxy-17,18-didehydrobromovulone-3
C21H27BrO5 (438.10417520000004)
8-Glucuronoyl-xanthurensaeure-N-carboxymethylamid
C18H18N2O11 (438.09105580000005)
1,3,6,7-tetrahydroxyxanthone-4-beta-D-glucopyranoside|isomangiferin
2,6-di-O-acetylscopolin|2,6-O-diacetylscopolin
C20H22O11 (438.11620619999997)
(2E)-3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(3,4-dihydroxyphenyl)prop-2-en-1-one|3,4,6-trihydroxy-2,4-dimethoxy-3-(3,4-dihydroxybenzyl)chalcone
2-O-beta-D-glucopyranosyl-4,4,6-trihydroxy-3-methoxybenzophenone|tenuiside D
C20H22O11 (438.11620619999997)
foliamangiferoside 2,4,6-trihyroxy-4-methoxybenzophenone-2-O-beta-D-glucopyranoside
C20H22O11 (438.11620619999997)
3-hydroxy-5-methylphenol 1-O-beta-D-(3-O-galloyl)glucopyranoside|cleyeratannin A
C20H22O11 (438.11620619999997)
(4aS,5R,6S)-5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1-oxo-1H,3H-pyrano[3,4-c]pyran-3-sulfonic acid
C16H22O12S (438.08319320000004)
(2S,3R)-3,10-dihydroxy-9-O-(6-hydroxy-7-O-methyl-2-hydroxymethyldihydrobenzofuran-3-yl)dibenz--pyran-6-one
D-Arabino-Hexose, 2-deoxy-, diethyl mercaptal, tetraacetate
3-hydroxy-5-methylphenol 1-O-beta-D-(6-galloyl)glucopyranoside|3-hydroxy-5-methylphenol 1-O-beta-D-(6-O-galloyl)glucopyranoside|3-Hydroxy-5-methylphenol 1-O-??-D-(6-galloyl)glucopyranoside
C20H22O11 (438.11620619999997)
2,3,6,8,9,12-Hexamethoxybenzo[1,2-b:4,5-b]bisbenzofuran
5-Amino-imidazol-carbonsaeure-(4)-succinylamid-ribotid|N-[5-amino-1-(O5-phosphono-beta-6D-ribofuranosyl)-1H-imidazole-4-carbonyl]-succinamic acid
(alphaR)-3-O-beta-D-xylopyranosyl-alpha,3,4,2,4-pentahydroxydihydrochalcone
C20H22O11 (438.11620619999997)
2-(1-Methylethenyl)-3,4-dimethoxy-5-hydroxy-6-(3,4-dimethoxyphenyl)-7H-furo[3,2-g][1]benzopyran-7-one
(E)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)butan-1-imine
[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
C20H22O11 (438.11620619999997)
[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate_major
C20H22O11 (438.11620619999997)
Ala Cys Asp Met
Ala Cys Met Asp
Ala Asp Cys Met
Ala Asp Met Cys
Ala Met Cys Asp
Ala Met Asp Cys
Cys Ala Asp Met
Cys Ala Met Asp
Cys Cys Asp Val
Cys Cys Val Asp
Cys Asp Ala Met
Cys Asp Cys Val
Cys Asp Asp Ser
Cys Asp Met Ala
Cys Asp Ser Asp
Cys Asp Val Cys
Cys Glu Gly Met
Cys Glu Met Gly
Cys Gly Glu Met
Cys Gly Met Glu
Cys Met Ala Asp
Cys Met Asp Ala
Cys Met Glu Gly
Cys Met Gly Glu
Cys Ser Asp Asp
Cys Val Cys Asp
Cys Val Asp Cys
Asp Ala Cys Met
Asp Ala Met Cys
Asp Cys Ala Met
Asp Cys Cys Val
Asp Cys Asp Ser
Asp Cys Met Ala
Asp Cys Ser Asp
Asp Cys Val Cys
Asp Asp Cys Ser
Asp Asp Ser Cys
Asp Met Ala Cys
Asp Met Cys Ala
Asp Ser Cys Asp
Asp Ser Asp Cys
Asp Val Cys Cys
Glu Cys Gly Met
Glu Cys Met Gly
Glu Gly Cys Met
Glu Gly Met Cys
Glu Met Cys Gly
Glu Met Gly Cys
7-Carboxynalidixic acid glucuronide
C18H18N2O11 (438.09105580000005)
Gly Cys Glu Met
Gly Cys Met Glu
Gly Glu Cys Met
Gly Glu Met Cys
Gly Met Cys Glu
Gly Met Glu Cys
Met Ala Cys Asp
Met Ala Asp Cys
Met Cys Ala Asp
Met Cys Asp Ala
Met Cys Glu Gly
Met Cys Gly Glu
Met Asp Ala Cys
Met Asp Cys Ala
Met Glu Cys Gly
Met Glu Gly Cys
Met Gly Cys Glu
Met Gly Glu Cys
Ser Cys Asp Asp
Ser Asp Cys Asp
Ser Asp Asp Cys
Val Cys Cys Asp
Val Cys Asp Cys
Val Asp Cys Cys
Nap-Asp-OH
C22H18N2O8 (438.10631079999996)
Asp-Nap-OH
C22H18N2O8 (438.10631079999996)
Silica aerogel
C23H22N2O3S2 (438.10717819999996)
Loquatoside
C20H22O11 (438.11620619999997)
3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)OXY]-1,2-PROPANEDIOL
C11H11F13O3 (438.05005719999997)
Phenyl 2,4,6-Tri-O-acetyl-3-O-allyl-1-thio-beta-D-glucopyranoside
C21H26O8S (438.13483160000004)
2-[(2-cyanoethyl)[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]ethyl acetate
n-(8-maleimidocapryloxy)sulfosuccinimide, sodium salt
C16H19N2NaO9S (438.07089240000005)
1-(3,4-difluorophenyl)-7,7-dimethyl-3-[(3-nitrophenyl)methyl]-6,8-dihydroquinoline-2,5-dione
C24H20F2N2O4 (438.13910640000006)
5-(2,4-difluorophenyl)-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
1,1-(BUTANE-1,4-DIYL)BIS[4-AZA-1-AZONIABICYCLO[2.2.2]OCTANE] DIBROMIDE
(2S)-2-[[5-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]thiophene-2-carbonyl]amino]pentanedioic acid
4-[5-(4-Methoxyphenyl)-2-oxazolyl]-1-methylpyridinium 4-methylbenzenesulfonate
C23H22N2O5S (438.12493620000004)
2,5-Bis(octyldithio)-1,3,4-thiadiazole
C18H34N2S5 (438.13254440000003)
Spiraprilat
C20H26N2O5S2 (438.12830660000003)
An azaspiro compound that is spirapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid group. It is the active metabolite of the angiotensin-converting enzyme (ACE) inhibitor spirapril. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor
(2s)-3-(1-{[2-(2-Chlorophenyl)-5-Methyl-1,3-Oxazol-4-Yl]methyl}-1h-Indol-5-Yl)-2-Ethoxypropanoic Acid
C24H23ClN2O4 (438.13462680000004)
5-{3-[3-(2,4-Dichloro-benzoyl)-ureido]-2-methyl-phenoxy}-pentanoic acid
4-{4-[3-(2,4-Dichloro-benzoyl)-ureido]-2,3-dimethyl-phenoxy}-butyric acid
CNS-7056
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
10-[(2R,3R)-2,3-dihydroxy-3-[(4S)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
3,5,7,9,11,13,15,17,19-Nonaoxoicosanoic acid
C20H22O11 (438.11620619999997)
(E)-2-hydroxy-1-[4,5,7,10-tetrahydroxy-3-(3-oxobutanoyl)anthracen-2-yl]pent-2-ene-1,4-dione
(2S)-2-amino-5-[[(1R)-1-carboxy-2-(1H-indol-3-ylmethylcarbamothioylsulfanyl)ethyl]amino]-5-oxopentanoic acid
3-Hydroxy-2-(1-hydroxy-3-oxopropan-2-yl)oxy-2-[1-[1-[1-(1-hydroxy-3-oxopropan-2-yl)oxy-2-oxoethoxy]-3-oxopropan-2-yl]oxy-2-oxoethoxy]propanal
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
C22H22N4O4S (438.13616920000004)
3-[4-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid
C20H14N4O6S (438.06340240000003)
2-Benzo[1,3]dioxol-5-yl-7-(4-chloro-benzyloxy)-3,5-dihydroxy-chromen-4-one
2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
3-chloranyl-N-[3-[[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamoyl]phenyl]benzamide
C21H15ClN4O5 (438.07309300000003)
1-[[1-[(3-Chlorophenyl)methyl]-2-oxo-3-indolylidene]amino]-3-(2-fluorophenyl)thiourea
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester
N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
C23H19ClN2O3S (438.08048540000004)
1-(4-Bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]-1,4-diazepane
N-(4-acetylphenyl)-4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
C23H19FN2O4S (438.10495060000005)
N-(3-acetylphenyl)-4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
C23H19FN2O4S (438.10495060000005)
(3aR,4S,9aR,9bS)-N-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide
N-(4-chlorophenethyl)-2-(5-oxo-2,3-dihydrothiazolo[3,2:1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
C22H19ClN4O2S (438.09171840000005)
(4,8-Dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-14-yl) hydrogen sulate
7-Chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxychromen-4-one
C20H19ClO9 (438.07175540000003)
3-[4-[(E)-3-(4-Bromophenyl)-3-oxoprop-1-enyl]-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid
(2R)-2-hydroxy-3,3-dimethyl-1-oxo-1-[[3-oxo-3-(2-sulfosulfanylethylamino)propyl]amino]-4-phosphonooxybutane
(4S,5R,6R)-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate
8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]ethyl]-, monomethanesulfonate [CAS]
C20H27BrN2O4 (438.11540820000005)
1-(4-Methoxy-phenyl)-2-[6-methyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-pyrimidin-4-ylsulfanyl]-ethanone
C23H22N2O3S2 (438.10717819999996)
(+)-kotanin
A member of the class of 8,8-bicoumarins resulting from the formal oxidative dimerisation of 4,7-dimethoxy-5-methyl-2H-chromen-2-one (the S-(+) enantiomer). A fungal metabolite, its isolation from Aspergillus clavatus was first reported in 1971.
riboflavin cyclic 4,5-phosphate
A flavin mononucleotide that is riboflavin (vitamin B2) in which the 4 and 5 hydroxy groups have been converted into a cyclic hydrogen phosphate ester.
glucolimnanthin(1-)
An aralkylglucosinolate that is glucotropeolin in which the phenyl group is substituted at position 3 by a methoxy group.
BMT-145027
C23H14ClF3N4 (438.08590300000003)
BMT-145027 is an mGluR5 positive allosteric modulator without inherent agonist activity, exhibits an EC50 of 47 nM.
SIRT2-IN-9
SIRT2-IN-9 (compound 12) is a selective inhibitor of SRIT2 with an IC50 value of 1.3 μM. SIRT2-IN-9 inhibits proliferative activity of MCF-7 breast cancer cells. SIRT2-IN-9 can be used for the research of cancer[1].
VU 6008667
C24H17ClF2N2O2 (438.09465559999995)
VU 6008667 is a selective negative allosteric modulator of M5 NAM with IC50s of 1.2 μM and 1.6 μM for human M5 and rat M5, respectively. High CNS penetration[1].
{4-[(1s,3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl}oxidanesulfonic acid
3,10-dihydroxy-9-{[6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}benzo[c]chromen-6-one
(6s)-16-chloro-4,21-dihydroxy-15-methoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione
20,28-dihydroxy-4,11,18,25-tetraazaheptacyclo[14.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-2(15),3,5,7,9,11,13,17(26),20,22,24-undecaene-9-carboxylic acid
[(9r)-3,15-dihydroxy-16,17-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2(19),3,5,14(18),15-hexaen-9-yl]oxidanesulfonic acid
C21H26O8S (438.13483160000004)
1-{2,4-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
C20H22O11 (438.11620619999997)
[4-(acetyloxy)-3,5-dihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl]methyl acetate
C20H22O11 (438.11620619999997)
methyl 3-(3,4-dihydroxyphenyl)-2-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate
4,4',7,7'-tetramethoxy-5,5'-dimethyl-[6,8'-bichromene]-2,2'-dione
(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3,4-dihydroxybenzoate
C20H22O11 (438.11620619999997)
13,14-dihydroxy-3-(4-hydroxyphenyl)-7-phenyl-5,10-dioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁶]hexadeca-1(9),2,6,11,13,15-hexaene-4,8-dione
2-{2-[2-(2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl)-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl}-4-methyl-1,3-thiazole
(2e)-1-(3,4-dihydroxyphenyl)-3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}prop-2-en-1-one
4-hydroxy-6-[(1e)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-one
C20H22O11 (438.11620619999997)
2,6-dihydroxy-3-[(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]benzoic acid
C20H22O11 (438.11620619999997)
methyl 4a,5,6,7-tetrahydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H26O13 (438.13733460000003)
methyl (2e,4r,5r,6e)-7-{2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienoate
C20H26N2O5S2 (438.12830660000003)
(1r,2r,4r,7s,9s,12s,13r,16r)-4-(furan-3-yl)-12-hydroxy-2,16-dimethyl-13-(methyldisulfanyl)-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane-6,11-dione
methyl 2',6-dihydroxy-5'-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-[1,1'-biphenyl]-3-carboxylate
2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-4,6-dihydroxy-3-(3-methylbut-2-en-1-yl)benzaldehyde
3-hydroxy-5-methylphenol1-o-β-d-(6'-galloyl)glucopyranoside
C20H22O11 (438.11620619999997)
{"Ingredient_id": "HBIN008681","Ingredient_name": "3-hydroxy-5-methylphenol1-o-\u03b2-d-(6'-galloyl)glucopyranoside","Alias": "NA","Ingredient_formula": "C20H22O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10512","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-O-galloylhomoarbutin
C20H22O11 (438.11620619999997)
{"Ingredient_id": "HBIN012687","Ingredient_name": "6-O-galloylhomoarbutin","Alias": "NA","Ingredient_formula": "C20H22O11","Ingredient_Smile": "NA","Ingredient_weight": "438.38","OB_score": "1.668272535","CAS_id": "121748-24-1","SymMap_id": "SMIT03132","TCMID_id": "NA","TCMSP_id": "MOL000567","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s)-1,7-bis(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid
C21H26O8S (438.13483160000004)
(2r,3s)-7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
5,6-dimethoxy-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
[(2r,3r,4s,5r,6s)-4-(acetyloxy)-3,5-dihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl]methyl acetate
C20H22O11 (438.11620619999997)
methyl (2e,4r,5s,6e)-7-{2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienoate
C20H26N2O5S2 (438.12830660000003)
1,3,6,7-tetrahydroxy-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2,3,6,7-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(2s,3r,4s,5s,6r)-2-({3,11-dihydroxy-10,12-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
C20H22O11 (438.11620619999997)
methyl (2e,4r,5s,6e)-7-{2-[2-(1-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienoate
C20H26N2O5S2 (438.12830660000003)
methyl 2',6-dihydroxy-5'-[(2s,3s)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-[1,1'-biphenyl]-3-carboxylate
6-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-(4-hydroxybenzoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexa-2,4-diene-1-carboxylic acid
C20H22O11 (438.11620619999997)
2',5,5'-trihydroxy-4,4'-dimethoxy-1-methyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,6,6'-trione
{3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
C20H22O11 (438.11620619999997)
(1r,4s,5r,6r,7s,9r,11r,14s,15r,16r,19r)-5,6,15-trihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁷,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
3-({5-amino-1-[(2r,3r,4r,5s)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carbonyl}-c-hydroxycarbonimidoyl)propanoic acid
[3,4,5-trihydroxy-6-(4-hydroxy-3-methylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H22O11 (438.11620619999997)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-3-methylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H22O11 (438.11620619999997)
(2r)-1-(2,4-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
C20H22O11 (438.11620619999997)
7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
methyl 7-{2-[2-(1-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienoate
C20H26N2O5S2 (438.12830660000003)
6-(3,4-dimethoxyphenyl)-5-hydroxy-3,4-dimethoxy-2-(prop-1-en-2-yl)furo[3,2-g]chromen-7-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C20H22O11 (438.11620619999997)
4-(furan-3-yl)-12-hydroxy-2,16-dimethyl-13-(methyldisulfanyl)-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane-6,11-dione
methyl (1s,4ar,5r,6s,7r,7ar)-4a,5,6,7-tetrahydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H26O13 (438.13733460000003)
3-[(5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carbonyl)-c-hydroxycarbonimidoyl]propanoic acid
1,3,6,7-tetrahydroxy-2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(12s,13s,14s,16r)-13-hydroxy-13-methyl-14-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11,15-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1,5,7,9-tetraen-4-one
C20H22O11 (438.11620619999997)
methyl (1r,4ar,5r,6s,7s,7ar)-4a,5,6,7-tetrahydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H26O13 (438.13733460000003)
[(2r,3s,4s,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl]methyl acetate
C20H22O11 (438.11620619999997)
methyl (1s,4ar,5r,6r,7r,7ar)-4a,5,6,7-tetrahydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H26O13 (438.13733460000003)
[5-(acetyloxy)-3,4-dihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl]methyl acetate
C20H22O11 (438.11620619999997)
1-(3,4-dihydroxyphenyl)-3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}prop-2-en-1-one
1,3,6,7-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
5,15,16-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone
2-({3,11-dihydroxy-10,12-dimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
C20H22O11 (438.11620619999997)
(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3,4-dihydroxybenzoate
C20H22O11 (438.11620619999997)
13-hydroxy-13-methyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,11,15-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1,5,7,9-tetraen-4-one
C20H22O11 (438.11620619999997)
ethyl 7-bromo-4,6-dihydroxy-1-isopropyl-3a,8-dimethyl-5-oxo-1h,2h,3h,9bh-cyclopenta[a]naphthalene-4-carboxylate
C21H27BrO5 (438.10417520000004)
(2r,3s,5s)-2-[2,5-dihydroxy-6-(4-hydroxybenzoyl)-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C20H22O11 (438.11620619999997)
1,7-bis(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid
C21H26O8S (438.13483160000004)
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-3,4-dihydroxybenzoic acid
C22H14O10 (438.05869440000004)
(4s,5s,9s,14s,15r,16s,19r)-5,15,16-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone
ethyl (1r,3ar,4r,9br)-7-bromo-4,6-dihydroxy-1-isopropyl-3a,8-dimethyl-5-oxo-1h,2h,3h,9bh-cyclopenta[a]naphthalene-4-carboxylate
C21H27BrO5 (438.10417520000004)
2,6-dihydroxy-3-[(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]benzoic acid
C20H22O11 (438.11620619999997)
(2e)-3-{4-[(2e)-but-2-en-2-yl]-15-formyl-14-hydroxy-6-methoxy-7-methyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-12-yl}but-2-enoic acid
(1r,4s,5s,9r,11r,14s,15s,17s,19r)-5,15-dihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[15.3.1.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosane-2,8,12,18-tetrone
1,3,6,7-tetrahydroxy-2-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
5,6,15-trihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁷,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
4-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-one
C20H22O11 (438.11620619999997)
2,3,6,7-tetrahydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
(2r,3s,5s)-2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C20H22O11 (438.11620619999997)
2-[(4s)-2-[(4r)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-1,3-thiazole
(5s,5'r)-2',5,5'-trihydroxy-4,4'-dimethoxy-1-methyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,6,6'-trione
methyl 2',6-dihydroxy-5'-[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-[1,1'-biphenyl]-3-carboxylate
(2r,3r)-7,9-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
methyl (2z)-3-(3,4-dihydroxyphenyl)-2-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate
(3-hydroxy-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3,4-dihydroxybenzoate
C20H22O11 (438.11620619999997)
methyl 7-{2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienoate
C20H26N2O5S2 (438.12830660000003)
(1s,4r,5s,6s,7r,9s,11s,14r,15s,16s,19s)-5,6,15-trihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.1⁷,¹¹.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
5,6-dimethoxy-3-(4-methoxy-2h-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
5,15-dihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[15.3.1.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosane-2,8,12,18-tetrone
4-{[(2s,4s,5r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-12-(hydroxymethyl)-14-methyl-17-oxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11,13,15-heptaene-2,9-dione
(5r,5's)-2',5,5'-trihydroxy-4,4'-dimethoxy-1-methyl-5,5'-bis(2-oxopropyl)-[3,3'-bipyridine]-2,6,6'-trione
3,10-dihydroxy-9-{[(2s,3r)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}benzo[c]chromen-6-one
methyl (2e,6e)-3,5-dimethoxy-4-methyl-7-{2-[2-(2-methyloxiran-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}hepta-2,6-dienoate
C20H26N2O5S2 (438.12830660000003)
5-(acetyloxy)-3,4',6-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-2-yl butanoate
16-chloro-4,21-dihydroxy-15-methoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione
1,3,6,7-tetrahydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
methyl (2e,4r,5s,6e)-7-(2-{2-[(2r)-1-hydroxypropan-2-yl]-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methylhepta-2,6-dienoate
C20H26N2O5S2 (438.12830660000003)
4,4',7,7'-tetramethoxy-5,5'-dimethyl-[6,6'-bichromene]-2,2'-dione
(2r,3s,4r,5r,6s)-2-(hydroxymethyl)-6-[2,4,6-trihydroxy-3-(3-hydroxy-4-methoxybenzoyl)phenyl]oxane-3,4,5-triol
C20H22O11 (438.11620619999997)
4,9-dimethoxy-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)furo[3,2-g]chromen-5-one
C20H22O11 (438.11620619999997)