Exact Mass: 248.10083160000002
Exact Mass Matches: 248.10083160000002
Found 364 metabolites which its exact mass value is equals to given mass value 248.10083160000002,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Sudan_I
C16H12N2O (248.09495819999998)
C.i. solvent yellow 14 appears as dark reddish-yellow leaflets or orange powder. Slight odor. (NTP, 1992) Sudan I is a monoazo compound. It has a role as a dye. It is functionally related to a 2-naphthol. D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 5651
Pyriculol
A benzaldehyde that is salicylaldehyde which is substituted at position 6 by a (3R,4S,5E)-3,4-dihydroxyhepta-1,5-dien-1-yl group. It is a phytotoxic metabolite, isolated from the rice blast fungi Magnaporthe oryzae and Magnaporthe grisea.
Mycorradicin
Mycorradicin is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Mycorradicin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Mycorradicin can be found in corn, which makes mycorradicin a potential biomarker for the consumption of this food product.
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in beverages. (+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
Glutamylthreonine
C9H16N2O6 (248.10083160000002)
Glutamylthreonine is a dipeptide composed of glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylthreonine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Gamma-Glutamylthreonine
C9H16N2O6 (248.10083160000002)
gamma-Glutamylthreonine is a dipeptide composed of gamma-glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylthreonine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Prenyl cis-caffeate
Prenyl cis-caffeate is a constituent of Populus species Prenyl cis-caffeate is a flavouring agent. Constituent of Populus subspecies
Citreovirenone
Citreovirenone is a mycotoxin produced by the rice storage mould Penicillium citreo-viride B. Mycotoxin production by the rice storage mould Penicillium citreo-viride B.
3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-[2,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
3-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenoic acid
Threonylglutamic acid
C9H16N2O6 (248.10083160000002)
Threonylglutamic acid is a dipeptide composed of threonine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Madia sativa (Chile tarweed)
Tetrahydrouridine
C9H16N2O6 (248.10083160000002)
Pyriculariol
A member of the class of benzaldehydes that is salicylaldehyde which is substituted at position 6 by a (1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl group. An isomer of pyriculol.
2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
7-Hydroxy-4-(3-methylbutoxy)-2H-1-benzopyran-2-one
4-pentyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
C12H16N4S (248.10956159999998)
3beta-methoxy-2, 3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3beta-methoxy-2,3-dihydrobenzofuran
(3R,3aR)-3-(3-furanyl)-3a-methyl-7-hydroxymethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one|10-hydroxyfraxinellone|30-hydroxyfraxinellone
(6S)-4-(2,4-hexadienoyl)-3,6-dihydroxy-2,6-dimethyl-2,4-cyclohexadien-1-one|sorbicillinol
8-Methyl-8-(hydroxymethyl)-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b]dipyran-3-ol
2,2,5-Trimethyl-7-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
(E)-4-hydroxy-2-methoxy-5-(1-oxo-4-hexenyl)-benzaldehyde
2,2-Dimethyl-8-methoxy-2H-1-benzopyran-6-carboxylic acid methyl ester
4-(1-hydroxy-2-butenyl)-1,4-dihydro-2,3-benzodioxocin-10-ol
6-Ethyl-4H-indolo[3,2,1-de][1,5]naphthyridine-4-one
C16H12N2O (248.09495819999998)
(3S*,4S*,5R*)-(E)-3,4-dihydroxy-2-(hexa-2,4-diyniliden)-1,6-dioxaspiro-(4.5)-decane|(3S*,4S*,5R*)-(E)-3,4-Dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane|(E)-3beta,4alpha-dihydroxyl-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,5]decane
3-(5-methylene-2-oxo-6-penta-1,3-dienyl-5,6-dihydro-2H-pyran-3-yl)propionic acid|Dykellic acid
1-(2-methoxy-3-formyl-but-3-en-1-yl)-resacetophenone|1-<2-methoxy-3-formyl-but-3-en-1-yl>-resacetophenone
2,2,7-Trimethyl-5-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
nigerapyrone D
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
3-[(2E)-but-2-en-1-yl]-5-hydroxy-5,7-dimethyl-4,5-dihydro-1-benzofuran-2,6-dione|phialofurone
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-4,4a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,5-dione|linderolide H
7-Hydroxy-2-(2-hydroxybutyl)-5-methyl-2-chromene-4-one
4-acetyl-3-hydroxy-1-hydroxymethyl-6-methyl-5-oxo-5,6,7,8-tetrahydronaphthalene|goldfussin B
1,3-Dimethyl-6-propionylpteridine-2,4(1H,3H)-dione
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6-yl)-2-propenoic acid
(1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
gamma-Glutamylthreonine
C9H16N2O6 (248.10083160000002)
A dipeptide composed of glutamic acid and threonine joined by a peptide linkage.
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
C14H16O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6S)
Glu-THR
C9H16N2O6 (248.10083160000002)
A dipeptide composed of L-glutamic acid and L-threonine joined by a peptide linkage.
(2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based: Match]
Sudan I
C16H12N2O (248.09495819999998)
CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10862; ORIGINAL_PRECURSOR_SCAN_NO 10860 D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10878; ORIGINAL_PRECURSOR_SCAN_NO 10876 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10910; ORIGINAL_PRECURSOR_SCAN_NO 10908 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10917; ORIGINAL_PRECURSOR_SCAN_NO 10916 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10908; ORIGINAL_PRECURSOR_SCAN_NO 10905 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10943; ORIGINAL_PRECURSOR_SCAN_NO 10942
5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
Atipamezole hydrochloride
Atipamezole (MPV-1248) hydrochloride is a potent α2-adrenoceptor antagonist with a Ki of 1.6 nM[1].
5-[4-(DIMETHYLAMINO)PHENYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
C12H16N4S (248.10956159999998)
2-(3,4-DIMETHYLBENZOYL)-3-OXO-BUTYRICACIDMETHYLESTER
2-(1-BENZYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)ACETONITRILE HYDROCHLORIDE
2-Methyl-2-propanyl 3-(4-methylphenyl)-2,3-dioxopropanoate
2-chloro-4-[cyclopropylmethyl(propyl)amino]benzonitrile
Methylbis(trimethylsilyloxy)vinylsilane
C9H24O2Si3 (248.10840439999998)
Ethyl 2,3-O-isopropylidene-1-thio-a-L-rhamnopyranoside
3-(3,4-DIETHOXY-PHENYL)-PROPYLAMINE
C13H16N2OS (248.09832859999997)
7H-Pyrido(4,3-c)carbazole, 10-methoxy-
C16H12N2O (248.09495819999998)
2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde
5,6-DIAMINO-1-ETHYL-3-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE HYDROCHLORIDE
4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,5-DIPHENYL-1H-PYRAZOLE-3-CARBALDEHYDE
C16H12N2O (248.09495819999998)
Tetrahydrouridine
C9H16N2O6 (248.10083160000002)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2135 - Cytidine Deaminase Inhibitor D009676 - Noxae > D000963 - Antimetabolites
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanamine
C12H16N4S (248.10956159999998)
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
6-Methylpyridinyl-2-boronic acid MIDA ester
C11H13BN2O4 (248.09683280000002)
1,3-diphenylpyrazole-4-carbaldehyde
C16H12N2O (248.09495819999998)
1-ethyl-3-methylimidazol-3-ium,trifluoro(trifluoromethyl)boranuide
C7H11BF6N2 (248.09194279999997)
5-(Benzyloxy)-1H-indole-3-carbonitrile
C16H12N2O (248.09495819999998)
3-Methacryloxypropyltrimethoxysilane
C10H20O5Si (248.10799500000002)
Methyl 5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxylate
1H-1,2,4-Triazole-3-carboxamide,N-(3,4-dimethoxyphenyl)-(9CI)
[4-(1-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
2-N-(2-phenylethyl)benzene-1,2-diamine,hydrochloride
Propanoic acid, 2-[(3-ethoxy-3-oxopropyl)thio]-2-methyl-, ethyl ester
4-(2,6-Dimethylphenoxy)phthalonitrile
C16H12N2O (248.09495819999998)
2-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl ester
(9-OXO-4,5,6,7,8,9-HEXAHYDRO-[1,2,4]TRIAZOLO-[5,1-B]QUINAZOLIN-2-YL)-ACETIC ACID
4-(NAPHTHALEN-1-YL)PHENYLBORONIC ACID
C16H13BO2 (248.10085480000004)
1-(2-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
1-(3-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
[3-(1-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
beta-[3-(2-Naphthalenyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
[2-(2-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
ethyl 3-[4-(1,3-dioxolan-2-yl)phenyl]prop-2-enoate
6-(1H-benzimidazol-2-yl)-2-methyl-1H-benzimidazole
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
C10H12N6O2 (248.10216920000002)
2-(1-Methoxy-2-(naphthalen-1-yl)ethylidene)malononitrile
C16H12N2O (248.09495819999998)
2,2-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
C13H16N2OS (248.09832859999997)
(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
Dimethyl 3-[(trimethylsilyl)oxy]pentanedioate
C10H20O5Si (248.10799500000002)
5-{[(2-Amino-9H-purin-6-YL)oxy]methyl}-2-pyrrolidinone
C10H12N6O2 (248.10216920000002)
3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
2(1H)-pyrimidinone, tetrahydro-4-hydroxy-1-beta-D-ribofuranosyl-
C9H16N2O6 (248.10083160000002)
D009676 - Noxae > D000963 - Antimetabolites
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R-cis)-
3,4-Dihydroxy-5-prenylcinnamic acid
A hydroxycinnamic acid that is trans-caffeic acid substituted by a prenyl group at position 5. Isolated from Brazilian propolis, it exhibits antioxidant activity.
3-amino-5-(1-naphthalenylmethyl)-1H-pyrazole-4-carbonitrile
(Z)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoic acid
1H-Indole-2,3-dione, 1-(trimethylsilyl)-, 3-(O-methyloxime)
2-[(Z)-2,4-Hexadiynylidene]-1,6-dioxaspiro[4.5]decane-3,4-diol
Monocyclohexyl phthalate
A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with cyclohexanol. It is a metabolite of the commonly used plasticiser dicyclohexyl phthalate.
THR-Glu
C9H16N2O6 (248.10083160000002)
A dipeptide formed from L-threonine and L-glutamic acid residues.
L-gamma-Glu-L-THR
C9H16N2O6 (248.10083160000002)
A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-threonnine.
3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
2-methyl-5-(6-methyl-5,6-dihydro-4h-pyran-2-carbonyl)benzene-1,3-diol
7-hydroxy-6-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
2-[(1e,3e,5r,6s)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
1-[(2s)-6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone
(2r)-2-({[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}oxy)butanedioic acid
C9H16N2O6 (248.10083160000002)
1-(7-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)ethanone
4-[(4e)-hex-4-enoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
2-[(1e,3s,4s,5e)-3,4-dihydroxyhepta-1,5-dien-1-yl]-6-hydroxybenzaldehyde
8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
5-methyl-10h-indolo[3,2-b]quinolin-11-one
C16H12N2O (248.09495819999998)
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)ethanone
(3ar,4ar,7as,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
7-hydroxy-4-isopropyl-3-methoxy-6-methylchromen-2-one
7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one
3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione
7-hydroxy-2-[(1e)-3-hydroxyprop-1-en-1-yl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane
{"Ingredient_id": "HBIN009643","Ingredient_name": "(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC#CC#CC=C1C(C(C2(O1)CCCCO2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran
{"Ingredient_id": "HBIN012165","Ingredient_name": "6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6beta-hydroxyfraxinellone
{"Ingredient_id": "HBIN012275","Ingredient_name": "6beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "15.20442498","CAS_id": "NA","SymMap_id": "SMIT07894","TCMID_id": "NA","TCMSP_id": "MOL006245","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
(6r,7r,8r)-8-methoxygoniodiol
{"Ingredient_id": "HBIN012779","Ingredient_name": "(6r,7r,8r)-8-methoxygoniodiol","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "COC(C1=CC=CC=C1)C(C2CC=CC(=O)O2)O","Ingredient_weight": "248.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13936","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44566796","DrugBank_id": "NA"}
9beta-hydroxyfraxinellone
{"Ingredient_id": "HBIN014071","Ingredient_name": "9beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "96.52281962","CAS_id": "NA","SymMap_id": "SMIT07920","TCMID_id": "NA","TCMSP_id": "MOL006274","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
anticancer alkaloid pmv70p691-050
C16H12N2O (248.09495819999998)
{"Ingredient_id": "HBIN016308","Ingredient_name": "anticancer alkaloid pmv70p691-050","Alias": "NA","Ingredient_formula": "C16H12N2O","Ingredient_Smile": "COC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-4,4-dimethyl-8-(prop-1-en-1-yl)-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
(2e)-3-{4-hydroxy-3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
3-{5-methylidene-2-oxo-6-[(1e,3e)-penta-1,3-dien-1-yl]-6h-pyran-3-yl}propanoic acid
3-hydroxy-7,8-bis(prop-1-en-1-yl)-1-oxaspiro[4.4]non-7-ene-2,6-dione
5-hydroxy-2-isopropyl-7-methoxy-8-methylchromen-4-one
1-(2,4-dihydroxy-3,5-dimethylphenyl)-6-hydroxyhexa-2,4-dien-1-one
(4s,5z)-4-[(1s,2e)-1-hydroxybut-2-en-1-yl]-1,4-dihydro-2,3-benzodioxocin-10-ol
4,6-dihydroxy-3,3,4,7-tetramethylnaphthalene-1,2-dione
(2e,4e)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
9-hydroxy-8-phenyl-2,7-dioxabicyclo[4.3.1]decan-3-one
1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one
1-[(2s)-2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
1-[(2s,3r)-6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[5-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
5-methylindolo[3,2-b]quinolin-11-ol
C16H12N2O (248.09495819999998)
(4ar,8ar,9as)-9a-hydroxy-3,8a-dimethyl-4h,4ah,5h,9h-naphtho[2,3-b]furan-2,8-dione
1-[4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
3-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
8-(hydroxymethyl)-8-methyl-2h,3h,4h-pyrano[2,3-f]chromen-3-ol
3-[5-methylidene-2-oxo-6-(penta-1,3-dien-1-yl)-6h-pyran-3-yl]propanoic acid
(5s,6s)-5-hydroxy-6-[(1r,6s,7r,8s)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-5,6-dihydropyran-2-one
3-[(5e)-5-[(2e,4e)-hexa-2,4-dien-1-ylidene]-2-oxo-6h-pyran-3-yl]propanoic acid
11-methyltricyclo[6.3.0.0¹,⁵]undeca-2,6-diene-3,6-dicarboxylic acid
3-methylbut-3-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-[(2s)-4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
methyl 7-hydroxy-2,2,5-trimethylchromene-6-carboxylate
1-[6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
2-methyl-5-[(6s)-6-methyl-5,6-dihydro-4h-pyran-2-carbonyl]benzene-1,3-diol
(3s)-4-(5-acetyl-2-hydroxyphenyl)-3-methoxy-2-methylidenebutanal
(6r)-6-[(1s,2r)-1-hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydropyran-2-one
n-[2-(1h-indol-3-yl)ethyl]-n-methylmethylsulfanylformamide
C13H16N2OS (248.09832859999997)
4-(hex-4-enoyl)-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
7-hydroxy-3-(3-hydroxy-3-methylbutyl)chromen-2-one
7-ethyl-8-hydroxy-6-methoxy-2,3-dimethylchromen-4-one
(2e,3s,4s,5r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol
3-[(5z)-5-[(2e,4e)-hexa-2,4-dien-1-ylidene]-2-oxo-6h-pyran-3-yl]propanoic acid
11-methoxy-10h-indolo[3,2-b]quinoline
C16H12N2O (248.09495819999998)
8-ethyl-2-(hydroxymethyl)-3,8-dimethylchromene-4,7-dione
(3r,3ar,6s)-3-(furan-2-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(2e)-2-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)ethanone
1-[2-(hydroxymethyl)-8-methoxy-2-methylchromen-6-yl]ethanone
(3r,3ar)-3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
11-methoxy-5h-indolo[3,2-b]quinoline
C16H12N2O (248.09495819999998)
(6r)-6-[(1r,2r)-1-hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydropyran-2-one
(3ar,4ar,7ar,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
8-acetyl-7-hydroxy-5-(hydroxymethyl)-2-methyl-3,4-dihydro-2h-naphthalen-1-one
1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
(3ar,4as,7ar,8r,9ar)-4a-hydroxy-8-methyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
4-[(2e)-1-hydroxybut-2-en-1-yl]-1,4-dihydro-2,3-benzodioxocin-10-ol
(1r,9r)-1,9-dimethyl-8,13-dioxatricyclo[7.3.1.0²,⁷]trideca-2,4,6-triene-5-carboxylic acid
(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methylhex-4-enoic acid
4-(1-hydroxybut-2-en-1-yl)-1,4-dihydro-2,3-benzodioxocin-10-ol
(5r,6s)-5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydropyran-2-one
(1s,6r,8r,9s)-9-hydroxy-8-phenyl-2,7-dioxabicyclo[4.3.1]decan-3-one
4-(hexa-2,4-dienoyl)-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
methyl 5-hydroxy-2,2,7-trimethylchromene-6-carboxylate
2-hydroxy-1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone
(2e,4e)-1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hexa-2,4-dien-1-one
(3r,3ar,6s)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
4a-hydroxy-8-methyl-3-methylidene-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
(1s,3r,7s,8s)-8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
(3s,8s)-8-(hydroxymethyl)-8-methyl-2h,3h,4h-pyrano[2,3-f]chromen-3-ol
2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol
6-(1-hydroxy-2-methoxy-2-phenylethyl)-5,6-dihydropyran-2-one
(8r)-8-ethyl-2-(hydroxymethyl)-3,8-dimethylchromene-4,7-dione
3-[(6s)-5-methylidene-2-oxo-6-[(1e,3e)-penta-1,3-dien-1-yl]-6h-pyran-3-yl]propanoic acid
(5r,6r,7s,8s)-6,7,8-trihydroxy-5-(hydroxymethyl)-octahydroimidazo[1,2-a]pyridine-2-carboxylic acid
C9H16N2O6 (248.10083160000002)
7-hydroxy-3-[(2r)-2-hydroxypropyl]-5,6-dimethylisochromen-1-one
3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
1-[(2r,3s)-6-hydroxy-3-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(6s)-4-[(2e,4e)-hexa-2,4-dienoyl]-3,6-dihydroxy-2,6-dimethylcyclohexa-2,4-dien-1-one
3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
(3r,5r)-3-hydroxy-7,8-bis[(1e)-prop-1-en-1-yl]-1-oxaspiro[4.4]non-7-ene-2,6-dione
3-hydroxy-8-isopropyl-5-oxo-7,8-dihydro-6h-naphthalene-2-carboxylic acid
2-(3,4-dihydroxyhepta-1,5-dien-1-yl)-6-hydroxybenzaldehyde
3-[5-(hexa-2,4-dien-1-ylidene)-2-oxo-6h-pyran-3-yl]propanoic acid
(8s)-8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
(4s)-4-amino-4-{[(1s,2r)-1-carboxy-2-hydroxypropyl]-c-hydroxycarbonimidoyl}butanoic acid
C9H16N2O6 (248.10083160000002)