Exact Mass: 314.1430486
Exact Mass Matches: 314.1430486
Found 500 metabolites which its exact mass value is equals to given mass value 314.1430486,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clomipramine
Clomipramine, the 3-chloro analog of imipramine, is a dibenzazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, clomipramine does not affect mood or arousal, but may cause sedation. In depressed individuals, clomipramine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as clomipramine, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Clomipramine may be used to treat obsessive-compulsive disorder and disorders with an obsessive-compulsive component (e.g. depression, schizophrenia, Tourettes disorder). Unlabeled indications include panic disorder, chronic pain (e.g. central pain, idiopathic pain disorder, tension headache, diabetic peripheral neuropathy, neuropathic pain), cataplexy and associated narcolepsy, autistic disorder, trichotillomania, onchophagia, stuttering, premature ejaculation, and premenstrual syndrome. Clomipramine is rapidly absorbed from the gastrointestinal tract and demethylated in the liver to its primary active metabolite, desmethylclomipramine. CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8506; ORIGINAL_PRECURSOR_SCAN_NO 8504 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8514; ORIGINAL_PRECURSOR_SCAN_NO 8513 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8510; ORIGINAL_PRECURSOR_SCAN_NO 8508 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8427; ORIGINAL_PRECURSOR_SCAN_NO 8426 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8459; ORIGINAL_PRECURSOR_SCAN_NO 8457 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8468; ORIGINAL_PRECURSOR_SCAN_NO 8467 N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors CONFIDENCE standard compound; EAWAG_UCHEM_ID 3669 CONFIDENCE standard compound; INTERNAL_ID 1527 D049990 - Membrane Transport Modulators
Chalepin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
dapdiamide B
A member of the family of dapdiamides consisting of alanylisoleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
dapdiamide C
A member of the family of dapdiamides consisting of alanylleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
Ranitidine
C13H22N4O3S (314.14125420000005)
KEIO_ID R041; [MS2] KO009222 KEIO_ID R041; [MS3] KO009225 KEIO_ID R041; [MS3] KO009224 KEIO_ID R041
Ratic
C13H22N4O3S (314.14125420000005)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1945; ORIGINAL_PRECURSOR_SCAN_NO 1942 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1940; ORIGINAL_PRECURSOR_SCAN_NO 1938 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1950; ORIGINAL_PRECURSOR_SCAN_NO 1947 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1935; ORIGINAL_PRECURSOR_SCAN_NO 1932 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1990; ORIGINAL_PRECURSOR_SCAN_NO 1987 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1943; ORIGINAL_PRECURSOR_SCAN_NO 1940 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4078; ORIGINAL_PRECURSOR_SCAN_NO 4074 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4083; ORIGINAL_PRECURSOR_SCAN_NO 4078 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4111; ORIGINAL_PRECURSOR_SCAN_NO 4107 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4113; ORIGINAL_PRECURSOR_SCAN_NO 4111 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 4121 INTERNAL_ID 4121; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1115 INTERNAL_ID 1115; CONFIDENCE standard compound
(R)-3-(METHYLAMINO)-1-PHENYLPROPANOLHYDROCHLORIDE
Ranitidine
C13H22N4O3S (314.14125420000005)
Ranitidine (CAS: 66357-35-5) is a non-imidazole blocker of histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers (PubChem). Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production and is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac (Wikipedia). A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers. -- Pubchem; Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac. -- Wikipedia [HMDB] A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
Homochlorcyclizine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Homochlorcyclizine is a diphenylmethylpiperazine H1-antihistamine.↵
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is isolated from Citrus hassaku juice oil. Isolated from Citrus hassaku juice oil. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus.
Gibberellin A120
Gibberellin A120 (GA120) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A120 is found in fruits. Gibberellin A120 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin A120 is found in fruits and peach.
Litcubinine
Litcubinine is found in fruits. Litcubinine is an alkaloid from the roots of Litsea cubeba (mountain pepper
Menadiol dibutyrate
Prothrombogenic vitamin. Prothrombogenic vitamin
N-[2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethanimidamide
C13H22N4O3S (314.14125420000005)
Dehydrocrotonin
Ranisen
C13H22N4O3S (314.14125420000005)
Cyclopropyl-methoxycarbonyl metomidate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
Ratic
C13H22N4O3S (314.14125420000005)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 196
7-(5-hydroxy-3,7-dimethylocta-2,6-dienyloxy)-chromen-2-one
(E)-6-Hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde
7-[(3-Methyl-2-butenyl)oxy]-8-(3,3-dimethyloxiranylmethyl)-2H-1-benzopyran-2-one
(+)-7-(3-Methylbut-2-enyloxy)-8-(2-hydroxy-3-methylbut-3-enyl)coumarin
(+)-7-(3-Methylbut-2-enyloxy)-8-(4-hydroxy-3-methylbut-2-enyl)coumarin
2-(2,3-Dihydroxy-3-methylbutyl)-5-(2-phenylethenyl)-1,3-benzenediol
1,1-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]chromen-2-one
8-geranyl-7-hydroxycoumarin|8-geranyloxy-7-hydroxycoumarin
erythro-1-(4-hydroxyphenyl)-2-(2-methoxy-4-(E)-propenylphenoxy)-propan-1-ol|erythro-1-(4-hydroxyphenyl)-2-<2-methoxy-4-(E)-propenylphenoxy>-propan-1-ol
1alpha,2alpha,3alpha,4alpha,10alpha-Pentahydroxyguaia-11(13)ene-12,6alpha-olide
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-6-en-3-ol
5-geranyloxy-7-hydroxycoumarin|5-geranyloxy-7-methoxycoumarin
(+)-(6R,2E)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 coumarine|(+)-epoxy-6,7-auraptene|(+/-)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 cumarine|(+/-)-epoxyaurapten|(E)-7-<<5-(3,3-dimethyloxiranyl)-3-methyl-2-pentenyl>oxy>-2H-1-benzopyran-2-one|(R)-(+)-aurapten-6,7-epoxyde|(R)-7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|6,7-Epoxyauraptene|7-(6,7-epoxygeranyloxy)coumarin|7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|7-{[(E)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-pentenyl]oxy}-2H-chromen-2-one|Epoxyaurapten|epoxyauraptene|geranyl umbelliferone monoepoxide
6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-7-hydroxycoumarin
Di-Ac-(Z)-1,9,14-Pentadecatriene-4,6-diyne-3,8-diol
1-(4-hydroxyphenyl)-2-propanol 4-O-beta-D-glucopyranoside
5-oxo-6,7-dihydroaureptene|7-(3,7-dimethyl-6-oxo-(2E)-2-octenyloxy)coumarin|7-<3,7-dimethyl-6-oxo-(2E)-2-octenyloxy>coumarin
3-(3,3-dimethylallyl)-marmesin|dl-3-(3,3-dimethylallyl)marmesin
(+-)-Latifolin-dimethylether|(+-)-Latifolindimethylether|2,5-Dihydro-2-methoxy-2,5-di-O-methyl-dalbergion|Latifolin-dimethylether|Latifolindimethylether
(2S,3R,3aR,4R,4S,5R,7R,8aR)-octahydro-3,4-dihydroxy-3-(hydroxymethyl)-5-methyl-3H-spiro[4,7-methanofuro[3,2-c]oxepine-2,2-pyran]-6(4H)-one|glochicoccin A
2,3-trans-3,4-cis-4,5-cis-5-(4-Hydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydrofuran
(4E,6Z,12E)-3-O-(3-Methyl-2-butenoyl)-4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol,
(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran|3-Methoxy-2,3-Dihydro-2-(4-hydroxyphenyl)-5-(e-hydroxypropyl)-3-methylbenzofuran
13,15-Diacetoxy-pentadecatrien-(2t,8t,10t)-diin-(4,6)|Centaur X(2)|Centaur X2
Neocryptotanshinone
Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2]. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
1alpha-hydroxypseudoanisatin|1??-Hydroxypseudoanisatin
3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one|3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one|eryvarin X
4-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
(8R,8S)-7-(3,4-methylenedioxyphenyl)-8,8-dimethyl-7-(3,4-dihydroxyphenyl)-butane
1,5-epoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
(3S)-2-(4-hydroxyphenyl)ethyl 3-hydroxy-5-phenylpentanoate|(3S)-3-hydroxy-5-phenylpentanoic acid 2-(4-hydroxyphenyl)ethyl ester
1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-one|muricarpin
1-(4-methoxy-2,5-dimethylphenyl)-beta-D-glucopyranose|dunnianoside H
(1R,3R,5R)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyheptane
1,13,14-trihydroxy-3,4-anhydrofloridanolide|dunnianolide B
(??)-3鈥樎?6鈥樎?Epoxycycloauraptene|3鈥樎?6鈥樎?Epoxycycloauraptene
(11)7,14-ortholactone of 14-hydroxy-3-oxofloridanolide
(E)-6-(7-hydroxy-3,7-dimethylocta-2,5-dienyl)-7-hydroxycoumarin|7-Hydroxy-6-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)-2H-1-benzopyran-2-one
5,7-Dihydroxy-8-lavandulyl-4H-1-benzopyran-4-one|exiguachromone A
7-O-(3-Methyl-2-butenyl)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
(4E)-1,5-bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol
NCI60_031207
1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione is a natural product found in Salvia miltiorrhiza with data available. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2]. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
Anisocoumarin H
Anisocoumarin H is a natural product found in Esenbeckia grandiflora and Zanthoxylum rhoifolium with data available.
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
4-(7-hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
(2S)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
C19H22O4_(2R,3R,4aS,5R,8aS)-5-(3-Furyl)-2,5-dimethyl-4,4a,8,8a-tetrahydro-2H-spiro[furan-3,1-naphthalene]-4,7(3H,5H)-dione
clomipramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
6-(1,1-Dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-G]chromen-7-one
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000846659]
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based: Match]
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000848851]
trimethylene bis(4-aminobenzoate)
CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7854; ORIGINAL_PRECURSOR_SCAN_NO 7850 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7867; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7905; ORIGINAL_PRECURSOR_SCAN_NO 7903 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7898; ORIGINAL_PRECURSOR_SCAN_NO 7895 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7906; ORIGINAL_PRECURSOR_SCAN_NO 7902
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one_major
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one_major
7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]chromen-2-one_major
6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE_major
Ala Ala Gly Pro
Ala Ala Pro Gly
Ala Gly Ala Pro
Ala Gly Pro Ala
Ala Pro Ala Gly
Ala Pro Gly Ala
Gly Ala Ala Pro
Gly Ala Pro Ala
Gly Pro Ala Ala
Pro Ala Ala Gly
Pro Ala Gly Ala
Pro Gly Ala Ala
gibberellin A120
7-(6R-Hydroxy-3,7-dimethylocta-2,5-dienyl)-7-hydroxycoumarin
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone
Pimefylline
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
tert-Butoxycarbonyl-L-valine N-hydroxysuccinimide ester
2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetic acid
4-[(4-METHYL-BENZYLAMINO)-METHYL]-3-NITRO-BENZOICACIDMETHYLESTER
methopromazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Triprolidine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018926 - Anti-Allergic Agents
Benzoic acid, 4-(hexyloxy)-, 4-hydroxyphenyl ester
2-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)NICOTINIC ACID
Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
diethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate
6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
2-[4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trideuterioethyl)anilino]ethanol
C16H18N4O3 (314.13788380000005)
methyl (E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-phenylprop-2-enoate
ethane-1,2-diol: hexanedioic acid: 2-(2-hydroxyethoxy)ethanol
1,3-Di(p-tolyl)-1,1,3,3-tetramethyldisiloxane, 94\\%
(R,R)-(+)-1-(1-Naphthyl)-2-(2-naphthyl)-1,2-ethanediol
[3-(9,9-Dimethyl-9H-fluoren-2-yl)phenyl]boronic acid
7,8-Bis[(3-methyl-2-buten-1-yl)oxy]-2H-1-benzopyran-2-one
3-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)PICOLINIC ACID
MAZ51
C21H18N2O (314.14190579999996)
METHYL 6-(4-METHOXYPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIATE
N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma comosa.
N-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
C16H18N4O3 (314.13788380000005)
7-[[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadienyl]oxy]-2H-1-benzopyran-2-one
N-[2-(Diethylamino)ethyl]-2-hydroxy-5-(methylsulfonyl)benzamide (Desmethyltiapride)
C14H22N2O4S (314.13002120000004)
N~3~-[3-(1h-Indol-6-Yl)benzyl]pyridine-2,3-Diamine
Homochlorcyclizine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-(7-Hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol
11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(2S,3S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylpentanoate
(2S,3S)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]-3-methylpentanoic acid
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(+)-(7S,8S,8S)-3,4,4-trihydroxy-5-methoxy-2,7-cyclolignan
A lignan that is 1,2,3,4-tetrahydronaphthalene substituted by methyl groups at positions 2 and 3, a hydroxy group at position 7, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from the bark of Machilus robusta.
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(E)-N-(4-Methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
C16H18N4O3 (314.13788380000005)
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenylmethanol
C21H18N2O (314.14190579999996)
1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine
C14H22N2O4S (314.13002120000004)
N-(3-fluoro-4-methylphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide
Ala-Gln-Pro
A tripeptide composed of L-alanine, L-glutamine, and L-proline joined in sequence by peptide linkages.
2-[[(2R)-2-acetyloxy-3-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
2-fluoro-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
2-fluoro-N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
2-fluoro-N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
(2S)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine
2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
C16H24Cl2N2 (314.13164439999997)
an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine
2-[hydroxy-[(2R)-2-hydroxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-3-hydroxy-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
2-[Hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
Chalepin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
dapdiamide C zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3.
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one
2,3-Dehydro-gibberellin A9
A C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9.
dapdiamide B zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3.
Antrodin A
Antrodin A is one of the main active ingredients in the solid-state fermented A. camphorate mycelium. Antrodin A protects the liver from alcohol damage by improving the antioxidant and anti-inflammatory capacity of the liver and maintaining the stability of the intestinal flora[1].
2-[(1r,2s,4s,5r,6r)-5-[(1s)-1-carboxy-1-hydroxyethyl]-2-ethenyl-4,6-dihydroxy-2-methylcyclohexyl]prop-2-enoic acid
(9r,11r)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,11,17-tetrol
4-[3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]propane-1,3-diol
1-[2-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
1-(acetyloxy)pentadeca-5,7,13-trien-9,11-diyn-3-yl acetate
1-[(1r,4s,4as,8as)-2-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbuta-1,3-dien-1-ylidene)-hexahydro-1-benzofuran-4,5-diol
7-{[(2e)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}chromen-2-one
(6r)-6-[(1e,4r,6r,7e)-4,6-dihydroxy-8-phenylocta-1,7-dien-1-yl]-5,6-dihydropyran-2-one
1-[(1r,2s,3r,8ar)-2-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
4-[5-hydroxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-en-1-yl]phenol
4-[(3r,6e)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
7-{[(2e)-5-[(2s)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one
1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
7-{[(3s,4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}chromen-2-one
7-{[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}chromen-2-one
(10r,12r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10,12-triol
1-hydroxy-2-[(2s)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
4-[(3s,6e)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
(1s,5r,8s,9s,10r,11r)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-2-ene-9-carboxylic acid
(12r,14r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12,14-triol
7-{[(1r,5r)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]methoxy}chromen-2-one
7-{[(2e)-3,7-dimethyl-6-oxooct-2-en-1-yl]oxy}chromen-2-one
(1s,2r,6s,7r,8s,10r,13r)-2,7,8-trihydroxy-6-(hydroxymethyl)-7,13-dimethyl-4,9-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁶,¹⁰]tetradecan-3-one
3-{[2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-5-methylphenol
(9r,11s)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,11,17-tetrol
(2s,3r,4s,5s,6r)-2-{2-[(1s)-1-hydroxyethyl]-3-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r,8s,9z)-3-(acetyloxy)pentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
(4ar)-6-hydroxy-5-methoxy-1,1,4a,7-tetramethyl-3,4-dihydrophenanthrene-2,9-dione
7-{[(1s,3r)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]methoxy}chromen-2-one
(3as,6r,6ar,7r,8s,9r,9as,9bs)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one
1-[4-hydroxy-2-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutan-2-one
(3r,5z,7e,13e)-1-(acetyloxy)pentadeca-5,7,13-trien-9,11-diyn-3-yl acetate
7-{[(3z,5e)-7-hydroxy-3,7-dimethylocta-3,5-dien-1-yl]oxy}chromen-2-one
(12s,14r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12,14-triol
2-(4-hydroxyphenyl)-4-methoxy-5-methyl-3,4,5,6-tetrahydro-2h-1-benzoxocin-9-ol
2-[3-(acetyloxy)-5,8-dimethylnaphthalen-2-yl]propan-2-yl acetate
7-{[(3r,4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}chromen-2-one
4,12,13-trihydroxy-9-(hydroxymethyl)-6,10-dimethyl-3,14-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁹]tetradecan-5-one
12-senecioyl-2E,8E,10E-atractylentriol
{"Ingredient_id": "HBIN000978","Ingredient_name": "12-senecioyl-2E,8E,10E-atractylentriol","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "62.39646702","CAS_id": "113269-39-9","SymMap_id": "SMIT02709","TCMID_id": "NA","TCMSP_id": "MOL000020","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyne-1,14-diol
{"Ingredient_id": "HBIN000979","Ingredient_name": "12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyne-1,14-diol","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "NA","CAS_id": "113269-39-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9341","PubChem_id": "NA","DrugBank_id": "NA"}
1-(4-hydroxyphenyl)-2-propanol
{"Ingredient_id": "HBIN001504","Ingredient_name": "1-(4-hydroxyphenyl)-2-propanol","Alias": "NA","Ingredient_formula": "C15H22O7","Ingredient_Smile": "NA","Ingredient_weight": "314.335","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9667","PubChem_id": "NA","DrugBank_id": "NA"}
1α-hydroxypseudoanisatin
{"Ingredient_id": "HBIN002310","Ingredient_name": "1\u03b1-hydroxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O7","Ingredient_Smile": "CC1(CC(C2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10667","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,6,12-tetradecatriene-8,10-diyne-1,3,14-triol,9ci; (4e,6z,12e)-form,3-o-(3-methyl-2-butenoyl)
{"Ingredient_id": "HBIN010049","Ingredient_name": "4,6,12-tetradecatriene-8,10-diyne-1,3,14-triol,9ci; (4e,6z,12e)-form,3-o-(3-methyl-2-butenoyl)","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "NA","CAS_id": "113269-38-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7909","PubChem_id": "NA","DrugBank_id": "NA"}
α,α'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
{"Ingredient_id": "HBIN015347","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5725","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}