Exact Mass: 452.1656
Exact Mass Matches: 452.1656
Found 500 metabolites which its exact mass value is equals to given mass value 452.1656
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Heteroartonin A
Heteroartonin A is found in fruits. Heteroartonin A is a constituent of the root bark of Artocarpus heterophyllus (jackfruit). Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroartonin A is found in jackfruit and fruits.
Melleolide M
Melleolide M is found in mushrooms. Melleolide M is a metabolite of Armillariella mellea (honey mushroom Metabolite of Armillariella mellea (honey mushroom). Melleolide M is found in mushrooms.
5alpha-Androstan-3alpha,17beta-diol disulfate
5alpha-Androstan-3alpha,17beta-diol disulfate, also known as 5α-androstan-3α,17β-diol disulfuric acid, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Androstan-3alpha,17beta-diol disulfate is considered to be a practically insoluble (in water) and an extremely strong acidic compound. 5alpha-Androstan-3alpha,17beta-diol disulfate can be found in feces.
5alpha-Androstan-3beta,17alpha-diol disulfate
5alpha-Androstan-3beta,17alpha-diol disulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 5alpha-Androstan-3beta,17alpha-diol disulfate was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.
Cichorioside J
Cichorioside j is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside j can be found in endive, which makes cichorioside j a potential biomarker for the consumption of this food product.
5-O-Methylvisammioside
5-O-Methylvisammioside is a natural product found in Saposhnikovia divaricata with data available. 5-O-Methylvisammioside is a natural product isolated from Saposhnikovia Divaricata. 5-O-Methylvisammioside is a natural product isolated from Saposhnikovia Divaricata.
[4R-(4R*,S*,7R*,10S*)]- 4,6-bis(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-7-methoxy-6,10-dimethyl-7,10-epoxycyclodeca[b]furan-2(4H)-one
7,8]isoflavone
[1aR-(1aR*,5R*,7S*,10aS*,10bR*)]-5-(Acetyloxy)-8-[(acetyloxy)methyl]-2,3,6,7,10a,10b-hexahydro-1a,5-dimethyl-7-(1-oxopropoxy)-oxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione
1,8-Bis(4-hydroxybenzyl)-2,7-dihydroxy-4-methoxyphenanthrene
Epimedokoreanin A
3,4-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-(1-hydroxy-1-methylethyl)-furano-(4,5:6,5)favanone
Ovatolactone 7-O-(6-O-p-hydroxybenzoyl)-beta-D-glucopyranoside
Erysengalensein C
(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
Dorsmanin D
Chamuvaritin
Heteroartonin A
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-9-methoxy-6-(3-methyl-1-oxobutyl)-4-phenyl-2H-furo[2,3:5,6]benzo[1,2-b]pyran-2-one|Mammea A/AA methoxycyclo F
5-hydroxymorusin|5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo(1,2-b:3,4-b)-pyran-4-one|5-hydroxymorusin|artonin E|hydroxyartoflavone A
8alpha-(4-hydroxymethacryloyloxy)-10alpha-hydroxy-1-O-methyl-hirsutinolide-13-O-acetate|8alpha-<4-hydroxymethacryloyloxy>-10alpha-hydroxy-1-O-methyl-hirsutinolide-13-O-acetate
(2S)-2-hydroxy-7-O-methylallopeucenin 2-O-beta-D-glucopyranoside
6-(Delta2-isopentenyl)piscerythrone|6-Prenylpiscerythrone|6-prenylpiscerythrone
8-Propanoyl,1,13-di-Ac-1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide|8-Propanoyl,13-Ac-1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide
7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
(6R,9R)-9-hydroxymegastigman-4-en-3-one 9-O-beta-D-glucopyranoside 6-O-sulfate|byzantionoside B 6-O-sulfate
(2E)-3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one|3,6-dihydroxy-2,4,4-trimethoxy-3-(3,4-dihydroxybenzyl)chalcone
2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-en-1-yl)-6-(3-methyl-2-oxobutyl)-4H-1-benzopyran-4-one|hypargyflavone B
5,5-dimethoxy-3,3-dimethyl[1,1-bi-9H-carbazole]-2,2-diol
5,7,3,4-Tetrahydroxy-3-methoxy-8,5-diprenylflavone
macaranone B
A tetrahydroxyflavone that is flavonol substituted by additional hydroxy groups at positions 5, 7 and 3, a methoxy group at position 4 and a geranyl group at position 2. It has been isolated from the twigs of Morus nigra.
Isochamuvaritin
A member of the class of a xanthenes that is 9H-xanthene substituted by hydroxy groups at positions 1 and 3, a 2-hydroxybenzyl group at position 2 and a 3-phenylpropanoyl group at position 4. Isolated from the roots of Uvaria acuminata, it exhibits potent cytotoxicity against human promyelocytic leukemia HL-60 cells.
9-(1-Hydroperoxy-isopropyl)-6,12-dihydroxy-3,3-dimethyl-8H,9H-benzo[f]pyrano[6,5-8,7]chromeno[3,2-d]oxepin-7-one
1alpha-acetoxy-2beta,3alpha,6beta,7beta,12beta-pentahydroxy-7,20;19,20-diepoxy-ent-kaur-16-en-15-one|taibaijaponicain D
5-Methoxy-(3,4-dihydro-3,4-diacetoxy)-2,2-dimethylpyrano-(7,8:5,6)-flavone
8alpha-(4-hydroxytigloyloxy)-10alpha-hydroxyhirsutinolide-13-O-acetate|8alpha-<4-hydroxytigloyloxy>-10alpha-hydroxyhirsutinolide-13-O-acetate
methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate
methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846691]
methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate [IIN-based: Match]
Ala Cys Pro Tyr
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Melleolide M
17-Acetyloxy-6-chloro-1α-chloromethylpregna-4,6-diene-3,20-dione
merimepodib
C471 - Enzyme Inhibitor > C2087 - Inosine Monophosphate Dehydrogenase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pierreione B
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3, a 2R,3-dihydroxy-3-methylbutoxyl group at position 4 and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity.
4-[6-(1-benzylpyrrol-2-yl)-4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,3,5-triazin-2-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
CARBONYLHYDRIDO[6-(DI-T-BUTYLPHOSPHINOMETHYLENE)-2-(N,N-DIETHYLAMINOMETHYL)-1,6-DIHYDROPYRIDINE]RUTHENIUM(II)
Clocortolone acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
SS58Uxz8ZU
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
Aiphanol
A lignan that is (2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethanol which is substituted by a 2-(3,5-dihydroxyphenyl)ethenyl group at position 6 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 3. It is a stilbenolignan isolated from the seeds of Aiphanes aculeata and exhibits potent inhibitory efficacy against cyclooxygenase-1 and -2 (COX-1 and COX-2).
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
5-Hydroxy-3-(4-hydroxy-3-methyl-but-2-enyl)-8,8-dimethyl-2-(2,4,5-trihydroxy-phenyl)-8H-pyrano[2,3-f]chromen-4-one
An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2, 4 and 5, a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group across positions 7 and 8. It has been isolated from Artocarpus odoratissimus.
N-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide
2-(4-butyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
[4-(2,3-Dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone
[4-[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
3,4-dimethoxy-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
Methyl 3-(3,4-dihydroxyphenyl)-2-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-5-oxofuran-2-carboxylate
(6R,7S,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-8-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
7-(2-Hydroxy-3-amino-3-carboxypropyl)wyosine 5-monophosphate zwitterion
(2S)-2-amino-4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl]-3-hydroxybutanoic acid
(2S)-2-amino-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid
9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
(2s)-4-methoxy-7-methyl-2-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
9-[(3,3-dimethyloxiran-2-yl)(methoxy)methyl]-4,6-dihydroxy-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
4-methoxy-7-methyl-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-3-methoxychromen-4-one
2-[5-(5,6-dimethoxy-1-benzofuran-2-yl)-2,5-dimethyloxolan-2-yl]-5,6-dimethoxy-1-benzofuran
2-{2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-5,7-dihydroxy-3-methoxychromen-4-one
(3,4,5-trihydroxy-6-{[(2r)-4-[(1r)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl)methoxysulfonic acid
(16s)-16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
3-{3-[(3,4-dihydroxyphenyl)methyl]-6-hydroxy-2,4-dimethoxyphenyl}-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
1,8-bis[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
[3,4,5-trihydroxy-6-({7-methyl-1-oxo-hexahydro-3h-cyclopenta[c]pyran-6-yl}oxy)oxan-2-yl]methyl 4-hydroxybenzoate
5,7-dihydroxy-8-methoxy-3-[(3-methylbut-2-en-1-yl)oxy]-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}chromen-4-one
(3s,8r)-3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
(3s)-3-(2,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
(8r)-5-hydroxy-8-(prop-1-en-2-yl)-2-[(3s,4s)-3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-8h,9h-furo[2,3-h]chromen-4-one
5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-en-1-yl)-8h,9h-furo[2,3-h]chromen-4-one
(2r,3r)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h-pyrano[3,2-g]chromen-4-one
3-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h-pyrano[2,3-f]chromen-4-one
3-[3,4-dihydroxy-5-methoxy-2,6-bis(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxychromen-4-one
[8,10-bis(acetyloxy)-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate
4,6-dihydroxy-9-(2-hydroxy-1-methoxy-3-methylbut-3-en-1-yl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
(11r)-11-(3,4-dihydroxyphenyl)-4-(2-hydroxypropan-2-yl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-3,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,4,6,8-tetraen-13-one
2-[3,4-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-en-1-yl)chromen-4-one
(?)-(10r,10'r)-ligulacephalin b
{"Ingredient_id": "HBIN000194","Ingredient_name": "(?)-(10r,10'r)-ligulacephalin b","Alias": "NA","Ingredient_formula": "C26H28O7","Ingredient_Smile": "CC1(CCC(O1)(C)C2=CC3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12802","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-(10s,10's)-ligulacephalin b
{"Ingredient_id": "HBIN000199","Ingredient_name": "(?)-(10s,10's)-ligulacephalin b","Alias": "NA","Ingredient_formula": "C26H28O7","Ingredient_Smile": "CC1(CCC(O1)(C)C2=CC3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12803","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,8-bis(4-hydroxybenzyl)-4-methoxy-2,7-phenanthrenediol
{"Ingredient_id": "HBIN002096","Ingredient_name": "1,8-bis(4-hydroxybenzyl)-4-methoxy-2,7-phenanthrenediol","Alias": "NA","Ingredient_formula": "C29H24O5","Ingredient_Smile": "NA","Ingredient_weight": "452.506","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9465","PubChem_id": "NA","DrugBank_id": "NA"}
5,7,3',4'-tetrahydroxy-3-methoxy-6-geranyl-flavone
{"Ingredient_id": "HBIN011179","Ingredient_name": "5,7,3',4'-tetrahydroxy-3-methoxy-6-geranyl-flavone","Alias": "NA","Ingredient_formula": "C26H28O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21112","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methoxy-(3'',4''-dihydro-3'',4''-diacetoxy)-2'',2''-dimethylpyrano-(7,8:5'',6'')-flavone
{"Ingredient_id": "HBIN011733","Ingredient_name": "5-methoxy-(3'',4''-dihydro-3'',4''-diacetoxy)-2'',2''-dimethylpyrano-(7,8:5'',6'')-flavone","Alias": "NA","Ingredient_formula": "C25H24O8","Ingredient_Smile": "CC(=O)OC1C(C(OC2=CC(=C3C(=O)C=C(OC3=C12)C4=CC=CC=C4)OC)(C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13901","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerstilbenolignan pmv70p691-042
{"Ingredient_id": "HBIN016364","Ingredient_name": "anticancerstilbenolignan pmv70p691-042","Alias": "NA","Ingredient_formula": "C25H24O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1448","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}