Exact Mass: 318.1784
Exact Mass Matches: 318.1784
Found 262 metabolites which its exact mass value is equals to given mass value 318.1784,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Eseramine
Coenzyme Q2
A compound composed of the 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of two isoprenoid units. D020011 - Protective Agents > D000931 - Antidotes CONFIDENCE standard compound; INTERNAL_ID 148
Ubiquinone-2
Ubiquinone-2 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-2 has just 2 isoprene units. Normally in humans it has 10. Ubiquinone-2 is an intermediate in the synthesis of Ubiquionone 10. Ubiquionone is involved in cellular respiration. It is fat-soluble and is therefore mobile in cellular membranes; it plays a unique role in the electron transport chain (ETC). In the inner bacterial membrane, electrons from NADH and succinate pass through the ETC to the oxygen, which is then reduced to water. The transfer of electrons through ETC results in the pumping of H+ across the membrane creating a proton gradient across the membrane, which is used by ATP synthase (located on the membrane) to generate ATP. Coenzyme Q functions as an electron carrier and reversibly changes to either an oxidized (CoQ), intermediate (CoQ), or reduced (CoQH2) form within a biomembrane. The Coenzyme Q2 (CoQH2) form also acts as an antioxidant and prevents cell death, and thus has been successfully used as a supplement. On the other hand, the value of the CoQ/CoQH2 ratio has been shown to increase in a number of diseases, presumably due to an anti-proliferative effect involving CoQ. Induction of apoptosis by CoQ2 is dependent on p53 protein levels. Moreover, CoQ2 induces reactive oxygen species (ROS) and the phosphorylation of p53. An antioxidant, l-ascorbic acid, inhibited CoQ2-induced p53 phosphorylation and further apoptotic stimuli. (PMID: 15905035) [HMDB] D020011 - Protective Agents > D000931 - Antidotes
Methylscopolamine
Methylscopolamine is only found in individuals that have used or taken this drug. It is a muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors. [PubChem]Methscopolamine acts by interfering with the transmission of nerve impulses by acetylcholine in the parasympathetic nervous system (specifically the vomiting center). It does so by acting as a muscarinic antagonist.
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is found in herbs and spices. (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is found in herbs and spices.
[8]-Dehydrogingerdione
[8]-Dehydrogingerdione is found in herbs and spices. [8]-Dehydrogingerdione is from Zingiber officinale (ginger). From Zingiber officinale (ginger). [8]-Dehydrogingerdione is found in herbs and spices.
Panaquinquecol 6
Panaquinquecol 6 is found in tea. Panaquinquecol 6 is a constituent of Panax quinquefolium (American ginseng) Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 6 is found in tea.
Cohulupone
Cohulupone is found in alcoholic beverages. Cohulupone is a constituent of hops Constituent of hops. Cohulupone is found in alcoholic beverages.
2-Methoxyestriol
Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
1-Dehydro-[8]-gingerdione
1-dehydro-[8]-gingerdione belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. 1-dehydro-[8]-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-dehydro-[8]-gingerdione can be found in ginger, which makes 1-dehydro-[8]-gingerdione a potential biomarker for the consumption of this food product.
10beta-Hydroxy-2beta-(2-methylacryloyloxy)furanoeremophilane
[4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate
[4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid
Subcordatolide E
6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane
Tomelukast
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4323; ORIGINAL_PRECURSOR_SCAN_NO 4321 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4808; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4333; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4786; ORIGINAL_PRECURSOR_SCAN_NO 4784 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4915; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9235; ORIGINAL_PRECURSOR_SCAN_NO 9230 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9194; ORIGINAL_PRECURSOR_SCAN_NO 9192 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9299; ORIGINAL_PRECURSOR_SCAN_NO 9298 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9318 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248 INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9308; ORIGINAL_PRECURSOR_SCAN_NO 9306
9alpha,14alpha-Dihydroxy-androst-4-en-3,17-dion|9alpha,14alpha-Dihydroxy-androsten-(4)-dion-(3,17)
2,2-dimethyl-7-methoxy-6-(1-hydroxyethyl)-chromene isovalerate|2,2-dimethyl-7-methoxy-6-<1-hydroxyethyl>-chromene isovalerate
7-E,9-Z methyl trisporate B|Delta9-cis-Trisporsaeure-B-methylester|methyl (7E,9Z)-trisporate B|methyl trisporate B|Trisporinsaeure-B-methylester
(-)-curcuhydroquinone diacetate|2-methyl-5-((R)-6-methylhept-5-en-2-yl)-1,4-phenylene diacetate
(6beta,14beta,15beta)-6,14,15-trihydro-20-nor-ent-kaur-1(10),16(17)-dien-7-one|rubescensin N
Me ether,15-ketone-(6E,9Z,11E,13E)-9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid
O-(2-Methulpropenoyl)-(1beta,6beta,10beta)-1,10-Epoxyfuranoeremophilan-6-ol|O-(2-Methylpropenoyl)-(1beta,6beta,10beta)-1,10-Epoxyfuranoeremophilan-6-ol
2-(Methylpropenoyl)-(2beta, 10beta)-Furanoeremophilane-2, 10-diol
3-(3-hydroxy-3-methyl-butyl)-5-prenyl-4-hydroxycinnamic acid
4-(methoxymethyl)-2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indole
6beta-isobutyryloxy-10alphaH-9-oxofuranoeremophilane
(E)-9-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-purine-2,6,8(3H,7H,9H)-trione
(2R,4S,5R,8S,10R)-2-[(methacroyl)oxy]eremophil-7(11)-en-12,8-olide|(8S)-2-[(methacroyl)oxy]eremophil-7(11)-en-12,8-olide
(5SR,8SR,9SR,10RS,13SR)-2-hydroxy-16-nor-3-oxodolabr-1,4(18)dien-15-oic acid|ent-16-nor-5alpha,13alpha(methyl)-3-oxodolabra-1,4(18)-dien-2-ol-15-oic acid
2-(2,5-dihydroxy-3-((E)-3,7-dimethylocta-2,6-dienyl)phenyl)acetate|denudaquinol
6-(2-Methylpropanoyl)-(6beta, 10beta)-Furanoeremophilane-6, 10-diol
(1RS,2SR,8aRS)-7-acetyl-1,2,3,4,6,8a-hexahydro-1,8a-dimethyl-6-oxonaphthalen-2-yl 3-methylbutanoate|3beta-(3-methylbutanoyloxy)-11-noreremophila-6(7),9(10)-diene-8,11-dione
(10S,15R,Z)-10,15-dihydroxyheptadeca-8,16-dien-11,13-diynyl acetate
3beta-(methacryloyloxy)-6beta-hydroxy-10betaH-furanoeremophilane
(4bS,7R,8aR,10R)-4b,5,6,7,8,8a,9,10-octahydro-3,7,10-trihydroxy-1,4b,8,8-tetramethyl-2-phenanthrenecarboxaldehyde|3alpha,7alpha,12-trihydroxy-16-norcassan-8,11,13-trien-13-al|noracanthopanin A
4E-9beta-methacryloxy-7alpha,10alphaH-germacra-4,11(13)-dien-12,6alpha-olide
atractyligenone (2-oxo-15alpha-hydroxyatractyl-16,17-ene-4alpha-carboxylic acid)
2,2,6-Trimethyl-4-(acetoxymethyl)-5-[2-(acetoxy)ethyl]indan
9alpha,12alpha-Dihydroxy-androsten-(4)-dion-(3,17)
6beta-propionyloxy-12alpha-methoxy-8,12-epoxyeremophila-1(10),7(11),8-triene
(-)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
6beta,11beta-dihydroxy-4-androstene-3,17-dione|6beta,11beta-Dihydroxy-androst-4-en-3,17-dion|6beta,11beta-dihydroxy-androst-4-ene-3,17-dione|6beta,11beta-Dihydroxy-androsten-(4)-dion-(3,17)|6beta,16beta-Dihydroxy-androst-4-en-3,17-dion
4-Me ether,Me ester-4-hydroxy-3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)benzoic acid|methyl 3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-4-methoxy-benzoate
4beta,7beta-Dihydroxy-18-norkaurenolid|ent-4alpha,6beta,7alpha-Trihydroxy-18-norkaur-16-en-19-carbonsaeure-19,6-lacton
2,2-dimethyl-7-methoxy-6-(1-hydroxyethyl)-chromene 2-methyl butyrate|2,2-dimethyl-7-methoxy-6-<1-hydroxyethyl>-chromene 2-methyl butyrate
10-(2-Methylbutyryloxy)-8,9-dehydrothymol-isobutyrat
Denudaquinol
Denudaquinol is a natural product found in Magnolia denudata with data available.
2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
1-(Triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
2-Methyl-2-propanyl 3-(7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl)-1- piperidinecarboxylate
Morpholino(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methanone
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]pentanedioic Acid Diethyl Ester
Gly-leu-met-NH2
[5-[(dimethylamino)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Morpholino(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanone
1-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazine
2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-amine
TERT-BUTYL 4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE
Methscopolamine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
16,19-Dihydroxy-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
2,2,3-Trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide
ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate
N-tert-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]imine
4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
(4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl isobutyrate
A natural product found in Pittocaulon velatum.
3,4,17-Trihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one
3,7-Dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline
N-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]imine
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide
(9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) (2R)-3-hydroxy-2-phenylpropanoate
2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate
[(1S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Methyl 2-((1E),(3Z)-3-methyl-7-oxoocta-1,3-dienyl)-1,3-dimethyl-4-oxocyclohex-2-enyl-1-carboxylate
2-(Ethoxycarbonyl)-3-(alpha-methylbenzyl)-5-hexenoic acid ethyl ester
3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
A seco-androstane that is 9,10-secoandrostane which is substituted by hydroxy groups at position 3, 4 and 17 and an oxo group at position 9 and in which the A-ring is aromatic.
SIRT2-IN-11
SIRT2-IN-11 (AEM1) is a selective SIRT2 inhibitor with an IC50 value of 18.5 μM. SIRT2-IN-11 p53-dependently induces apoptosis, activates expression of CDKN1A, PUMA and NOXA, and increases acetylation of p53. SIRT2-IN-11 can be used for the research of p53-related cancers[1].
7-ethenyl-4,9-dihydroxy-1-(hydroxymethyl)-4a,7-dimethyl-5,6,8,9,10,10a-hexahydro-4h-phenanthren-3-one
methyl (1s)-1,3-dimethyl-2-[(1e,3e)-3-methyl-7-oxoocta-1,3-dien-1-yl]-4-oxocyclohex-2-ene-1-carboxylate
(4r,4ar,5r)-5-hydroxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
3-{4-hydroxy-3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(3-methylbut-2-en-1-yl)phenyl}propanoic acid
3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde
6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1h-phenanthrene-2-carboxylic acid
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-8-oxo-4h,5h,6h,7h,8ah,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl 3-methylbutanoate
(8s,10as)-8-hydroxy-3-isopropyl-7,7,10a-trimethyl-6h,6ah,8h,9h,10h-cyclohexa[h]chromene-2,5-dione
(1r,4e,6s,9s)-6-[(2z,4e)-6-hydroxy-6-methyl-1-oxohepta-2,4-dien-2-yl]-9-methyl-10-oxabicyclo[7.1.0]dec-4-ene-4-carbaldehyde
(2e)-3,7-dimethylocta-2,6-dien-1-yl 3,4-dimethoxybenzoate
{6-methyl-3-methylidene-2-oxo-3ah,4h,5h,6h,11h,11ah-cyclodeca[b]furan-10-yl}methyl 2-methylpropanoate
5-hydroxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
6-(acetyloxy)pentadeca-3,9,12-trien-1-yn-7-yl acetate
1-[2',4'-dihydroxy-3',5'-di-(3''-methylbut-2''-enyl)-6'-methoxy]phenylethanone
{"Ingredient_id": "HBIN000648","Ingredient_name": "1-[2',4'-dihydroxy-3',5'-di-(3''-methylbut-2''-enyl)-6'-methoxy]phenylethanone","Alias": "NA","Ingredient_formula": "C19H26O4","Ingredient_Smile": "CC(=CCC1=C(C(=C(C(=C1O)C(=O)C)OC)CC=C(C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5851","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
