Exact Mass: 376.1977
Exact Mass Matches: 376.1977
Found 500 metabolites which its exact mass value is equals to given mass value 376.1977,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Remifentanil
Remifentanil (marketed by Abbott as Ultiva) is a potent ultra short-acting synthetic opioid analgesic drug. It is given to patients during surgery to relieve pain and as an adjunct to an anaesthetic. Remifentanil is a specific mu-type-opioid receptor agonist. Hence, it causes a reduction in sympathetic nervous system tone, respiratory depression and analgesia. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AH - Opioid anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Enalapril
Enalapril is a prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is rapidly metabolized in the liver to enalaprilat following oral administration. Enalaprilat is a potent, competitive inhibitor of ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Enalapril may be used to treat essential or renovascular hypertension and symptomatic congestive heart failure. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Estradiol Benzoate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents Same as: D01953
21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
Etofenprox
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
Desoximetasone
Desoximetasone is only found in individuals that have used or taken this drug. It is a topical anti-inflammatory glucocorticoid used in dermatoses, skin allergies, psoriasis, etc. [PubChem]The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. This is achieved first by the drug binding to the glucocorticoid receptors which then translocates into the nucleus and binds to DNA causing various activations and repressions of genes. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XC - Corticosteroids, potent, other combinations D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) 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
Fluorometholone
Fluorometholone is only found in individuals that have used or taken this drug. It is a glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732)There is no generally accepted explanation for the mechanism of action of ocular corticosteroids. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor, arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. Their primary target is the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations S - Sensory organs > S01 - Ophthalmologicals > S01C - Antiinflammatory agents and antiinfectives in combination > S01CB - Corticosteroids/antiinfectives/mydriatics in combination D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents D018926 - Anti-Allergic Agents
12alpha-Hydroxy-13,18-dehydroparain
12alpha-Hydroxy-13,18-dehydroparain is a constituent of Quassia amara (Surinam quassia). Constituent of Quassia amara (Surinam quassia)
11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide
11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide is found in herbs and spices. 11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide is a constituent of leaves of rosemary (Rosmarinus officinalis) Constituent of leaves of rosemary (Rosmarinus officinalis). 14-Hydroxy-7-methylrosmanol is found in herbs and spices.
18-Oxocortisol
18-Oxocortisol shares structural characteristics with cortisol and aldosterone and is secreted from the adrenal cortex. The plasma levels of 18-Oxocortisol are significantly higher in patients with adrenocortical disorders than in control subjects. (PMID 8013138) [HMDB] 18-Oxocortisol shares structural characteristics with cortisol and aldosterone and is secreted from the adrenal cortex. The plasma levels of 18-Oxocortisol are significantly higher in patients with adrenocortical disorders than in control subjects. (PMID 8013138). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
16α-hydroxyprednisolone
16α-hydroxyprednisolone is a metabolite of budesonide. Budesonide is a glucocorticoid steroid for the treatment of asthma and non-infectious rhinitis (including hay fever and other allergies), and for treatment and prevention of nasal polyposis. In addition, it is used for Crohns disease. (Wikipedia)
16alpha-Hydroxyprednisolone
beta-hydroxyprednisolone
(2S)-1-((2S)-2-(((1R)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)pyrrolidine-2-carboxylic acid
estradiol benzoate
17beta-Estradiol benzoate
Fluocortolone
Fluoromethalone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids D000893 - Anti-Inflammatory Agents D018926 - Anti-Allergic Agents
Imigliptin
TRISPHENOL
1,7-bis-(4-Hydroxy-3-methoxyphenyl)-heptane-3,5-diol
1,7-bis-(4-hydroxy-3-methoxyphenyl)-heptane-3,5-diol is a member of the class of compounds known as curcuminoids. Curcuminoids are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. 1,7-bis-(4-hydroxy-3-methoxyphenyl)-heptane-3,5-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1,7-bis-(4-hydroxy-3-methoxyphenyl)-heptane-3,5-diol can be found in ginger, which makes 1,7-bis-(4-hydroxy-3-methoxyphenyl)-heptane-3,5-diol a potential biomarker for the consumption of this food product.
YS2A8X6SX2
Octahydrocurcumin is a natural product found in Zingiber officinale with data available. Octahydrocurcumin is a hydrogenated derivative of curcumin and a metabolite of curcumin. Octahydrocurcumin is a hydrogenated derivative of curcumin and a metabolite of curcumin.
4beta-Hydroxy-3alpha,6alpha,15,16-bis-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
2-(3,3-Dimethylallyl)-2,2-dimethylchromene (5,6:4,3)-4-hydroxy-5-methoxy stilbene
Spinochalcone A
1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol
11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide
Octahydrocurcumin
Octahydrocurcumin is a hydrogenated derivative of curcumin and a metabolite of curcumin. Octahydrocurcumin is a hydrogenated derivative of curcumin and a metabolite of curcumin.
8-hydroxy-2,7,7,11,15-pentamethyl-5,12,16-trioxapentacyclo[9.8.0.0(2),.0,.0(1)(3),(1)]nonadec-13(18)-ene-3,17-dione
1alpha-methoxy-15-(2-methylbutyryloxy)-9-oxo-germacra-4-trans,10(14),11(13)-trien-12,6alpha-olide
(11beta,17alphaOH)-11,17,21-Trihydroxy-3,20-dioxopregn-4-en-18-al
(E)-form-2,4-Dihydroxy-3,5-diprenylchalcone|2,4-dihydroxy-3,5-di-C-prenylchalcone|Spinochalcone A
Nemosenin D = (1beta,10beta-Epoxy-3beta-acetoxy-6beta-isobutyryloxy-furoeremophilan)
rel-(7R,8S,1R,3R,4R,5R,6R)-Delta8-4,5-epoxy-6-hydroxy-3,4,3-trimethoxy-8.1,7.O.6-neolignan
(7S,8R,1S,2S,3R)-Delta8-2,4-dihydroxy-3,35-trimethoxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan
16(S)-methoxymethyl-6beta,7beta-dihydroxy-7alpha,20-epoxy-ent-kaur-2,3-ethenylene-1,15-dione|Epi-maoecrystal P
1beta,10beta-epoxy-8beta-ethoxy-6beta-[(2-methylacryloyl)oxy]eremophil-7(11)-12,8alpha-olide|rel-(1aR,4S,4aS,5S,8aS,9aS)-8a-ethoxy-2,3,4,4a,5,7,8a,9-octahydro-4,4a,6-trimethyl-7-oxo-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylprop-2-enoate
1beta,10beta-epoxy-6beta-angeloyloxy-8beta-methoxyeremophil-7(11)-en-8alpha,12-olide
3beta-hydroxy-6beta-angeloyloxy-8alpha-methoxyeremophil-1(10),7(11)-dien-12,8beta-olide
1alpha-methoxy-15-isovaleryloxy-9-oxo-germacra-4-trans,10(14),11(13)-trien-12,6alpha-olide
(2R,2S,3R,4bS,7R,8aR,9S)-7-Formyloxy-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-2,4b,8,8-tetramethylspiro(cyclopropan-1,2(1H)-phenanthren)-1,4(3H)-dion|(2R,2S,3R,4bS,7R,8aR,9S)-7-Formyloxy-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-2,4b,8,8-tetramethylspiro-1,4(3H)-dion
(1alpha,6beta,20R)-1,7:6,20-diepoxy-6-hydroxy-20-methoxy-6,7-seco-ent-kaur-16-ene-7,15-dione|serrin C
(-)-secoisolariciresinol 4-O-methyl ether|(2R,3R)-2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl)-1,4-butanediol|(2R,3R)-2-(4-hydroxy-3-methoxybenzyl)-3-(3,4-dimethoxybenzyl)-1,4-butanediol|(8R,8R)-3,3,4-trimethoxylignan-4,9,9-triol|Secoisolariciresinol-monomethylether
3beta-angeloyloxy-10beta-hydroxy-6beta-methoxyeremophila-7(11),8(9)-dien-8,12-olide|3??-Angeloyloxy-10??-hydroxy-6??-methoxyeremophila-7(11),8(9)-dien-8,12-olide
(1R,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)-2-oxoethyl]decahydro-3-hydroxy-1-(hydroxymethyl)-4a-methyl-6-methylidenenaphthalen-2-yl acetate|inulifolinone E
2beta-methoxy-6alpha-O-angeloyl-2,3-dihydrohelenalin
(E)-3,5-dimethoxy-4-(S-2-methylbutyryloxy)phenylpropenyl angelate
(4S,5R,6R,8R,9R,10S,12S,18S)-15,16-epoxy-19-hydroxyneocleroda-13(16),14-dien-20,12-olide-6,18-methylacetal|teupolin XI
erythro-2,3-bis(4-hydroxy-3-methoxyphenyl)-3-butoxypropan-1-ol
19,20-epoxy-12-methoxy-11,14,19-trihydroxy-7-oxo-8,11,13-abietatriene
(E)-3,5-dimethoxy-4-isopentanoyloxyphenylpropenyl angelate
inulifolinone F|[(1R,2S,3R,4aR,5R,8aR)-5-[2-(furan-3-yl)-2-oxoethyl]decahydro-2,3-dihydroxy-4a-methyl-6-methylidenenaphthalen-1-yl]methyl acetate
6beta,12,15-triacetoxy-1beta,7alpha,10betaH-guaia-4,11(13)-dien-3-one
7alpha-hydroxypodocarpen-8(14)-en-13-on-18-O-butanedioic acid|abiesanordine H
3beta-angeloyloxy-8alpha-hydroxy-6beta-methoxyeremophil-7(11),9(10)-dien-8,12-olide
(4S,6R,7S,8S,10R,11S,16R)-1-oxo-3(10),8(16)-diepoxy-16-methylprop-1Z-enyl-16-methoxygermacra-2-en-6(12)-olide
Me ester-3,4-Seco-4(18),13-halimadiene-16,15:20,5-diolid-3-oic acid
(2R,3S,4R,4aR,8R,8aR)-8-[2-(furan-3-yl)-2-oxoethyl]decahydro-3-hydroxy-4-(hydroxymethyl)-8a-methyl-7-methylidenenaphthalen-2-yl acetate|inulifolinone D
3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
11,14,15-trihydroxy-12-methoxy-20-oxo-8,11,13-abietatrien-7-one
1alpha-acetoxy-6beta-isobutyryloxy-10alphaH-9-oxofuranoeremophilane
(1alpha,6beta,20R/20S)-1,7:6,20-diepoxy-20-hydroxy-6-methoxy-6,7-seco-ent-kaur-16-ene-7,15-dione|isodocarpin|serrin B
3alpha,4alpha-epoxy-6alpha-(2-methylacryloyl)oxy-8alpha-ethoxyeremophil-7(11)-en-8beta,12-olide
6beta,8alpha-dihydroxy-3beta-<4-methylsenecioyloxy>-eremophila-1(10),7(11)-dien-12,8beta-olide
ent-7beta,14-dihydroxy-11alpha-methoxy-18-oxo-11beta,20-epoxy-kaur-16-en-15-one|macrocalyxin B
2,3-epoxy-2-(2-tigloyloxy-4-methyl-5-methoxyphenyl)propyl isovalerate
Enalapril
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; INTERNAL_ID 2718 CONFIDENCE standard compound; INTERNAL_ID 8616 INTERNAL_ID 8616; CONFIDENCE standard compound
REMIFENTANIL
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AH - Opioid anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
C21H28O6_2H,11H-Naphtho[2,1-b]pyrano[3,2-e]pyran-9-carboxylic acid, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-3-hydroxy-4,4,6a,12b-tetramethyl-11-oxo
C21H28O6_2-Butenoic acid, 2-methyl-, (2Z)-2-[[1-(3,4-dimethoxyphenyl)propoxy]carbonyl]-2-buten-1-yl ester, (2E)
C21H28O6_(10E)-6-Formyl-5-methoxy-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate
Desoximetasone
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XC - Corticosteroids, potent, other combinations D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) 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
8-hydroxy-2,7,7,11,15-pentamethyl-5,12,16-trioxapentacyclo[9.8.0.0²,⁸.0⁴,⁶.0¹³,¹⁸]nonadec-13(18)-ene-3,17-dione
Fluoromethalone
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations S - Sensory organs > S01 - Ophthalmologicals > S01C - Antiinflammatory agents and antiinfectives in combination > S01CB - Corticosteroids/antiinfectives/mydriatics in combination D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AA - Corticosteroids, combinations for treatment of acne C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents D018926 - Anti-Allergic Agents CONFIDENCE standard compound; INTERNAL_ID 1168; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8875; ORIGINAL_PRECURSOR_SCAN_NO 8870 CONFIDENCE standard compound; INTERNAL_ID 1168; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8809 CONFIDENCE standard compound; INTERNAL_ID 1168; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8911; ORIGINAL_PRECURSOR_SCAN_NO 8909 CONFIDENCE standard compound; INTERNAL_ID 1168; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8940; ORIGINAL_PRECURSOR_SCAN_NO 8939 CONFIDENCE standard compound; INTERNAL_ID 1168; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8959; ORIGINAL_PRECURSOR_SCAN_NO 8957 CONFIDENCE standard compound; INTERNAL_ID 1168; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8931; ORIGINAL_PRECURSOR_SCAN_NO 8930 CONFIDENCE standard compound; INTERNAL_ID 2811
Etofenprox
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins CONFIDENCE standard compound; INTERNAL_ID 1039; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8875; ORIGINAL_PRECURSOR_SCAN_NO 8870 CONFIDENCE standard compound; INTERNAL_ID 1039; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8886; ORIGINAL_PRECURSOR_SCAN_NO 8883 CONFIDENCE standard compound; INTERNAL_ID 1039; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8911; ORIGINAL_PRECURSOR_SCAN_NO 8909 CONFIDENCE standard compound; INTERNAL_ID 1039; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8940; ORIGINAL_PRECURSOR_SCAN_NO 8939 CONFIDENCE standard compound; INTERNAL_ID 1039; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8959; ORIGINAL_PRECURSOR_SCAN_NO 8957 CONFIDENCE standard compound; INTERNAL_ID 1039; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8931; ORIGINAL_PRECURSOR_SCAN_NO 8930
8-hydroxy-2,7,7,11,15-pentamethyl-5,12,16-trioxapentacyclo[9.8.0.0²,?.0?,?.0¹³,¹?]nonadec-13(18)-ene-3,17-dione
Ala Ile Ser Ser
Ala Leu Ser Ser
Ala Ser Ile Ser
Ala Ser Leu Ser
Ala Ser Ser Ile
Ala Ser Ser Leu
Ala Ser Thr Val
Ala Ser Val Thr
Ala Thr Ser Val
Ala Thr Val Ser
Ala Val Ser Thr
Ala Val Thr Ser
Gly Ile Ser Thr
Gly Ile Thr Ser
Gly Leu Ser Thr
Gly Leu Thr Ser
Gly Ser Ile Thr
Gly Ser Leu Thr
Gly Ser Thr Ile
Gly Ser Thr Leu
Gly Thr Ile Ser
Gly Thr Leu Ser
Gly Thr Ser Ile
Gly Thr Ser Leu
Gly Thr Thr Val
Gly Thr Val Thr
Gly Val Thr Thr
Ile Ala Ser Ser
Ile Gly Ser Thr
Ile Gly Thr Ser
Ile Ser Ala Ser
Ile Ser Gly Thr
Ile Ser Ser Ala
Ile Ser Thr Gly
Ile Thr Gly Ser
Ile Thr Ser Gly
Leu Ala Ser Ser
Leu Gly Ser Thr
Leu Gly Thr Ser
Leu Ser Ala Ser
Leu Ser Gly Thr
Leu Ser Ser Ala
Leu Ser Thr Gly
Leu Thr Gly Ser
Leu Thr Ser Gly
Ser Ala Ile Ser
Ser Ala Leu Ser
Ser Ala Ser Ile
Ser Ala Ser Leu
Ser Ala Thr Val
Ser Ala Val Thr
Ser Gly Ile Thr
Ser Gly Leu Thr
Ser Gly Thr Ile
Ser Gly Thr Leu
Ser Ile Ala Ser
Ser Ile Gly Thr
Ser Ile Ser Ala
Ser Ile Thr Gly
Ser Leu Ala Ser
Ser Leu Gly Thr
Ser Leu Ser Ala
Ser Leu Thr Gly
Ser Ser Ala Ile
Ser Ser Ala Leu
Ser Ser Ile Ala
Ser Ser Leu Ala
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Thr Ala Ser Val
Thr Ala Val Ser
Thr Gly Ile Ser
Thr Gly Leu Ser
Thr Gly Ser Ile
Thr Gly Ser Leu
Thr Gly Thr Val
Thr Gly Val Thr
Thr Ile Gly Ser
Thr Ile Ser Gly
Thr Leu Gly Ser
Thr Leu Ser Gly
Thr Ser Ala Val
Thr Ser Gly Ile
Thr Ser Gly Leu
Thr Ser Ile Gly
Thr Ser Leu Gly
Thr Ser Val Ala
Thr Thr Gly Val
Thr Thr Val Gly
Thr Val Ala Ser
Thr Val Gly Thr
Thr Val Ser Ala
Thr Val Thr Gly
Val Ala Ser Thr
Val Ala Thr Ser
Val Gly Thr Thr
Val Ser Ala Thr
Val Ser Thr Ala
Val Thr Ala Ser
Val Thr Gly Thr
Val Thr Ser Ala
Val Thr Thr Gly
18-Oxocortisol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A steroid aldehyde that is cortisol carrying a formyl group at position 18.
Fluocortolone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XC - Corticosteroids, potent, other combinations C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii) 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
14-Hydroxy-7-O-methylrosmanol
12a-Hydroxy-13,18-dehyroparain
Antibiotic FR 901512
ST 21:4;O6
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Trisphenol
Benzenesulfonic acid, dodecyldimethyl-, sodium salt
4,4-((2-HYDROXYPHENYL)METHYLENE)BIS(2,3,6-TRIMETHYLPHENOL)
2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
Mirfentanil
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
[1-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-piperidin-4-ylMethyl]-carbaMic acid tert-butyl ester
(2S)-1-((2S)-2-(((1R)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)pyrrolidine-2-carboxylic acid
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate
6alpha-Methyl-11beta,17alpha-dihydroxy-21-fluoropregna-1,4-diene-3,20-dione
N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide
1-[2-[(2-Hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
2,4-Dimethyl-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,6-naphthyridin-5-one
2-[[(2-Ethoxyphenyl)-oxomethyl]amino]acetic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester
3-[2-[butyl(methyl)amino]ethyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
3-Benzyl-1-cyclopentyl-1-(4-oxo-3,4-dihydro-quinazolin-2-ylmethyl)-urea
3-Methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(4-morpholinyl)ethanone
N-[(2R,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]cyclohexanecarboxamide
N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
(4S,7R)-7-phenyl-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
N-[(2R,3R,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
(4S,7S)-7-phenyl-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7R)-7-phenyl-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5R,8S)-5-phenyl-8-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5S,8R)-5-phenyl-8-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
16alpha-Hydroxyprednisolone
A 16-hydroxyprednisolone in which the hydroxy group at position 16 adopts alpha-configuration. It is a metabolite of budesonide found in human urine and plasma.
1-[2,4-dihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-3-phenylprop-2-en-1-one
3-[5,8-dihydroxy-6-isopropyl-7-methoxy-1-methyl-4-oxo-2-(prop-1-en-2-yl)-2,3-dihydronaphthalen-1-yl]propanoic acid
(1s,4s,8r,9r,11s,12r,13s,16r)-11-hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecane-2,18-dione
(4s,4ar,5s,8s,8as)-8-(acetyloxy)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
4-(2,5-dihydroxyphenyl)-2-{2-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}-4-oxobutanoic acid
methyl (2e)-5-(furan-3-yl)-2-{3-[(3e,6r)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]propyl}pent-2-enoate
(1r,2s,3r,4ar,5r,8ar)-5-[2-(furan-3-yl)-2-oxoethyl]-3-hydroxy-1-(hydroxymethyl)-4a-methyl-6-methylidene-octahydronaphthalen-2-yl acetate
(1r,2r,3s,6r,7s)-7-(2h-1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]octane-2,8-diol
methyl 8a-[5-(furan-3-yl)-2-oxooxolan-3-yl]-2,4a-dimethyl-hexahydro-2h-1-benzopyran-5-carboxylate
9,10-dihydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-13-ene-7,15-dione
(4r,11as)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-4-hydroxy-2-(methoxymethyl)but-2-enoate
(4s,11s)-2-hydroxy-5,5-dimethyl-17-methylidene-10,16-dioxo-15-oxatetracyclo[11.2.2.0¹,¹⁴.0⁴,⁹]heptadecan-11-yl acetate
5-[2-(furan-3-yl)-2-oxoethyl]-3-hydroxy-1-(hydroxymethyl)-4a-methyl-6-methylidene-octahydronaphthalen-2-yl acetate
{7-methoxy-3,6-dimethylidene-2,5-dioxo-3ah,4h,7h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methyl 2-methylbutanoate
4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-14-ene-3,11,16-trione
(1's,3s,3ar,4r,6's,7'r,7ar,9's)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidene-hexahydro-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione
(1'r,3r,3as,4s,6'r,7's,7as,9'r)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidene-hexahydro-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione
(4r,5r,7r,8r,13s,16s,19r,22r)-7,8-dihydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-dien-14-one
4-methoxy-3,5-dimethyl-6-[(2e,4z,6z)-7-[4-methyl-2-(prop-2-en-1-yl)phenyl]hepta-2,4,6-trien-1-yl]pyran-2-one
(3ar,4r,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (3r)-4-hydroxy-3-methoxy-2-methylidenebutanoate
3-ethoxy-6,9,10-trimethyl-5-oxo-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-8-yl 2-methylprop-2-enoate
12-o-methylcandesalvone b
{"Ingredient_id": "HBIN000947","Ingredient_name": "12-o-methylcandesalvone b","Alias": "NA","Ingredient_formula": "C21H28O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14203","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-epiangustifolin
{"Ingredient_id": "HBIN012331","Ingredient_name": "6-epiangustifolin","Alias": "NA","Ingredient_formula": "C21H28O6","Ingredient_Smile": "CC12CCCC3(C1C(OC2)OC)COC(=O)C45C3C(CC(C4)C(=C)C5=O)O","Ingredient_weight": "376.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6825","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101223772","DrugBank_id": "NA"}
angustifolin
{"Ingredient_id": "HBIN016135","Ingredient_name": "angustifolin","Alias": "NA","Ingredient_formula": "C21H28O6","Ingredient_Smile": "CC12CCCC3(C1C(OC2)OC)COC(=O)C45C3C(CC(C4)C(=C)C5=O)O","Ingredient_weight": "376.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1245","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21575185","DrugBank_id": "NA"}
