Exact Mass: 318.1118
Exact Mass Matches: 318.1118
Found 371 metabolites which its exact mass value is equals to given mass value 318.1118
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Paeoniflorigenone
A natural product found in Paeonia rockii subspeciesrockii. Paeoniflorigenone is a terpenoid with formula C17H18O6, isolated from several species of Paeoniae. It has a role as a neuromuscular agent and a plant metabolite. It is a benzoate ester, a monoterpenoid, a cyclic acetal, an alicyclic ketone, a bridged compound and a lactol. [(1S,3S,6R,8R,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate is a natural product found in Paeonia lactiflora, Paeonia clusii, and other organisms with data available. A terpenoid with formula C17H18O6, isolated from several species of Paeoniae.
Tebupirimfos
CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10232; ORIGINAL_PRECURSOR_SCAN_NO 10230 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10218; ORIGINAL_PRECURSOR_SCAN_NO 10216 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10254; ORIGINAL_PRECURSOR_SCAN_NO 10252 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10208; ORIGINAL_PRECURSOR_SCAN_NO 10207 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10252; ORIGINAL_PRECURSOR_SCAN_NO 10250 CONFIDENCE standard compound; INTERNAL_ID 1225; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10257; ORIGINAL_PRECURSOR_SCAN_NO 10256
Paeonilactone C
4',7-Di-O-methylcatechin
4,7-Di-O-methylcatechin is found in chinese cinnamon. 4,7-Di-O-methylcatechin is a constituent of Chinese cinnamon (Cinnamomum cassia) Constituent of Chinese cinnamon (Cinnamomum cassia). 4,7-Dimethylcatechin is found in chinese cinnamon and herbs and spices.
fluvoxamino acid
fluvoxamino acid is a metabolite of fluvoxamine. Fluvoxamine (brand name Luvox) is an antidepressant which functions as a selective serotonin reuptake inhibitor (SSRI). Fluvoxamine was first approved by the U.S. Food and Drug Administration (FDA) in 1993 for the treatment of obsessive compulsive disorder (OCD). Fluvoxamine CR (controlled release) is approved to treat social anxiety disorder. (Wikipedia)
Agarotetrol
Agarotetrol is a pyranone. Agarotetrol is a natural product found in Aquilaria malaccensis with data available. Agarotetrol is a chromone derivative isolated from Agarwood. Agarotetrol is a chromone derivative isolated from Agarwood.
4-O-Methylsappanol
3-[(3,4-Dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol is a natural product found in Biancaea decapetala and Biancaea sappan with data available.
[3aR-(3aalpha,4alpha,9aalpha,9bbeta)]-4-(Acetyloxy)-3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-azuleno[4,5-b]furan-2,7-dione
5-methoxy-3-(3-methyl-2,3-dihydroxybutyl)psoralen
5-Methoxy-8-(1,1-dimethyl-2,3-dihydroxypropyl)-psoralen
6-Methoxy-5-(3-methyl-2,3-dihydroxybutyl)-angelicin
((3R,3aR,6aR)-5-oxo-6a-(2-oxopropyl)hexahydrofuro[2,3-b]furan-3-yl)methyl benzoate|paeonilide
1(2H)-Anthracenone, 3,4-dihydro-2,3,8,9-tetrahydroxy-6-methoxy-3,7-dimethyl-
rel-8alpha,11alpha;9alpha,11alpha-diepoxy-1,4-dihydroxy-2-methoxy-8abeta-methyl-5,6,7,8,8a,9,10,10abeta-octahydro-10-anthracenone
3-O-Acetylhamaudol
3'-O-Acetylhamaudol, isolated from Angelica polymorpha, exhibits anti-tumor activity through dual actions, anti-angiogenesis and intestinal intraepithelial lymphocyte activation[1].
(5S,6S)-(+)-5-Acetoxy-6-methoxy-kawain|(5S,6S)-5-Acetyloxy-5,6-dihydro-4,6-dimethoxy-6-(2-phenylethenyl)-2H-yl-pyran-2-one
7-Methoxy-8-(2-acetoxy-1-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
3,5-dihydroxy-4,5-dimethoxy-2-methyl-[1,1-biphenyl]-2-carboxylic acid methyl ester
4-Methoxy-9-(2,3-dihydroxy-1,1-dimethylpropyl)-7H-furo[3,2-g][1]benzopyran-7-one
3,4-Dihydro-3-(2,3-dihydroxy-4-methoxyphenyl)-8-methoxy-2H-1-benzopyran-7-ol
pterolinus E
A member of the class of 1,4-benzoquinones that is substituted by a methoxy group at position 5 and a propan-2-yl group at position 2 which in turn is substituted by a hydroxy group and a 3-hydroxy-4-methoxyphenyl groups at position 1. It has been isolated from Pterocarpus santalinus.
1,2,3,4-tetrahydro-3alpha,5-dihydroxy-6,7-dimethoxy-2beta-methylanthracene-9,10-dione|psiconnatanone A
5,7-dihydroxy-3,6-dimethoxy-2-(1,1-dimethylprop-2-enyl)naphthalene-1,4-dione|6,8-dihydroxy-2,7-dimethoxy-3-(1,1-dimethylprop-2-enyl)-1,4-naphthoquinone
4,6,4-trihydroxy-7,2-dimethoxyisoflavane|cordifoliflavane B
4-hydroxy-6-methoxy-gamma,7-dimethyl-3-oxo-5-phthalansorbic acid|6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-phthalan-5-yl)-4-methyl-hexa-2t(?),4t(?)-diensaeure|6-<4-Hydroxy-6-methoxy-7-methyl-3-oxo-phthalan-5-yl>-4-methyl-hexa-2t(?),4t(?)-diensaeure|6-<4-Hydroxy-6-methoxy-7-methyl-3-oxo-phthalan-5-yl>-4-methyl-hexadien-2,4-saeure
5-(2,3-Dihydroxy-3-methylbutyl)-6-methoxy-2H-furo[2,3-h][1]benzopyran-2-one
9-(2-Hydroxy-3-methoxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
(1beta,6alpha,8?鈥?9Z)-Ac-1-Hydroxy-4,7,9-germacratriene-12,8:15,6-olide
(10bRS)-3,10b-dihydro-8,10,10b-trimethoxy-4-methyl-2H-naphtho[1,2-b]pyran-5,6-dione|colelomycerone A
(2S)-5-hydroxy-6,8,10-trimethoxy-2-methyl-4H-2,3-dihydronaphtho[2,3-b]pyran-4-one
7-Methoxy-8-(1-acetoxy-2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
10-O-MethylprotosappaninB
4-O-Methylepisappanol
4-O-Methylepisappanol is a natural product found in Alpinia japonica, Biancaea decapetala, and Biancaea sappan with data available.
Oxypeucedanin methanolate
(+)-4-[(R)-2-Hydroxy-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one is a natural product found in Angelica japonica and Prangos pabularia with data available.
Isoagarotetrol
Isoagarotetrol is a natural product found in Aquilaria sinensis and Aquilaria malaccensis with data available.
Paeoniflorgenin
5-(3-Furan-2-yl-acryloyl)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one
C17H18O6_(2S,6R)-2,4,6-Trimethoxy-6-methyl-3H,4H-spiro[1-benzofuran-2,1-cyclohex[2]ene]-3,4-dione
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848055]
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based on: CCMSLIB00000847733]
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate [IIN-based: Match]
9-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one_major
[1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] acetate_major
Ala Asp Gly Gly
Ala Gly Asp Gly
Asp Ala Gly Gly
Asp Gly Ala Gly
Asp Gly Gly Ala
Glu Gly Gly Gly
Gly Ala Asp Gly
Gly Asp Ala Gly
Gly Asp Gly Ala
Gly Glu Gly Gly
Gly Gly Asp Ala
4',7-Di-O-methylcatechin
(2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione
Methyl 4-acetoxy-5,8-dimethoxy-6-methyl-2-naphthoate
Methyl 4-acetoxy-6,7-dimethoxy-8-methyl-2-naphthoate
methyl 1-(2,2-dimethoxyethyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
3-Pyridazinecarboxylic acid, 6-(4-fluoro-2-methylphenyl)-, 2-(methoxyacetyl)hydrazide
(S)-5-AMINO-2-(BENZYLOXYCARBONYLAMINO)PENTANOIC ACID
(9H-FLUOREN-9-YL)METHYL 2,3-DIAMINOPROPANOATE HYDROCHLORIDE
2-MORPHOLIN-4-YL-4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
METHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[B]THIOPHENE-2-CARBOXYLATE
2-Naphthalenecarboxylicacid, 4-(acetyloxy)-7,8-dimethoxy-, ethyl ester
6-(4-methoxyphenyl)-5-pyridin-3-ylfuro[2,3-d]pyrimidin-4-amine
4-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)butanoic acid
METHYL 6-N-BOC-AMINO-3-FORMYL-1H-INDOLE-4-CARBOXYLATE
N,N-Di-t-butyl-2,3-diaMidobutanetin(II), 98\\%, 50-1150, contained in 50 Ml Swagelok cylinder (96-1070) for CVD/ALD
(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1-one
Thiazole, 4-(4-nitrophenyl)-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
(2E,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione
2-[[Cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester
(7r,8r)-8-(2,4,5-Trifluorophenyl)-6,7,8,9-Tetrahydroimidazo[1,2-A:4,5-C]dipyridin-7-Amine
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]ethyl-methylazanium
4-Senecioyloxymethyl-6,7-dimethoxycoumarin
A member of the class of coumarins that consists of coumarin substituted by a senecioyloxymethyl group at position 4 and methoxy groups at positions 6 and 7. Isolated from Crinum latifolium, it exhibits anti-angiogenic activity.
5-[(3,4-Dimethoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
[5-(2,5-Dimethoxyphenyl)-3-isoxazolyl]-(4-morpholinyl)methanone
3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-3-(1-oxopropyl)-2-oxolanone
2-[2-(Difluoromethoxy)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
3-(1-Azepanyl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dione
[4-(3-Chlorophenyl)-1-piperazinyl]-(2,5-dimethyl-3-furanyl)methanone
(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol
3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
methyl 5-[(2E)-3-(furan-2-yl)prop-2-enoyl]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
4-{[(2s)-2,4-dihydroxy-4-methylpentyl]oxy}furo[3,2-g]chromen-7-one
10-hydroxy-5,7-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
(1r,3s)-10-hydroxy-5,7-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
(3s)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7,8-diol
methyl (3r,4s)-3,4,6-trihydroxy-2,2-dimethyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate
6-(4,8-dihydroxy-2-methoxy-5-oxo-7,8-dihydro-6h-naphthalen-1-yl)-3-methyl-5,6-dihydropyran-2-one
(1r,7r,8r,10r)-3,8-dimethyl-14-oxo-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadeca-2(6),3,13(16)-trien-7-yl acetate
(2r,6's)-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
2-[5-acetyl-3-(acetyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
7-hydroxy-5-methoxy-4-methyl-6-[(1e)-2-[(2s)-2-methyl-5-oxooxolan-2-yl]ethenyl]-3h-2-benzofuran-1-one
4-[2-(3,4-dihydroxyphenyl)-5-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
2,4-dimethoxy-6-oxo-2-(2-phenylethenyl)-3h-pyran-3-yl acetate
(2r,3r,4s)-8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,4,7-triol
2,3,8,9-tetrahydroxy-6-methoxy-3,7-dimethyl-2,4-dihydroanthracen-1-one
(1r,2s)-2-(acetyloxy)-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
5-hydroxy-6,8,10-trimethoxy-2-methyl-2h,3h-naphtho[2,3-b]pyran-4-one
6-[(2s)-2,3-dihydroxy-3-methylbutyl]-4-methoxyfuro[3,2-g]chromen-7-one
3-(7-hydroxy-8-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl)-6-methoxybenzene-1,2-diol
5-[(2r)-2,3-dihydroxy-3-methylbutyl]-6-methoxyfuro[2,3-h]chromen-2-one
(2r,3's)-3'-ethyl-4-methoxy-3'-[(2r,3r)-3-methyl-5-oxooxolan-2-yl]spiro[1-benzofuran-2,2'-oxiran]-3-one
(3r,4s)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydro-1-benzopyran-3,7-diol
(1r,7s,8s,10r)-3,8-dimethyl-14-oxo-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadeca-2(6),3,13(16)-trien-7-yl acetate
2-[(2r,3s)-5-acetyl-3-(acetyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
(1r,2r)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl acetate
[(1s,3s,6r,8r)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.0³,⁸]decan-10-yl]methyl benzoate
3'-O-Acetylhamaudol
{"Ingredient_id": "HBIN009026","Ingredient_name": "3'-O-Acetylhamaudol","Alias": "[(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate; Hamaudol acetate; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] acetate; 3'-o-acetylhamaudol; [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ethanoate; acetic acid [(7S)-5-hydroxy-2,8,8-trimethyl-4-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; acetic acid [(7S)-5-hydroxy-4-keto-2,8,8-trimethyl-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester; AC1NSTKZ","Ingredient_formula": "C17H18O6","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)OC(=O)C)(C)C)O","Ingredient_weight": "318.32 g/mol","OB_score": "26.20957628","CAS_id": "NA","SymMap_id": "SMIT12600;SMIT14142","TCMID_id": "407","TCMSP_id": "MOL011731","TCM_ID_id": "24343","PubChem_id": "5315865","DrugBank_id": "NA"}
3'-o-methyl episappanol
{"Ingredient_id": "HBIN009354","Ingredient_name": "3'-o-methyl episappanol","Alias": "3'-o-methylepisappanol","Ingredient_formula": "C17H18O6","Ingredient_Smile": "COC1=C(C=CC(=C1)CC2(COC3=C(C2O)C=CC(=C3)O)O)O","Ingredient_weight": "318.32","OB_score": "NA","CAS_id": "111254-22-9","SymMap_id": "NA","TCMID_id": "14395","TCMSP_id": "NA","TCM_ID_id": "8010;24347","PubChem_id": "NA","DrugBank_id": "NA"}
albiflorin-1
{"Ingredient_id": "HBIN015075","Ingredient_name": "albiflorin-1","Alias": "NA","Ingredient_formula": "C17H18O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "858","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}