Exact Mass: 608.2363
Exact Mass Matches: 608.2363
Found 374 metabolites which its exact mass value is equals to given mass value 608.2363
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Reserpine
Reserpine appears as white or cream to slightly yellow crystals or crystalline powder. Odorless with a bitter taste. (NTP, 1992) Reserpine is an alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. It has a role as an antihypertensive agent, a first generation antipsychotic, an adrenergic uptake inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an environmental contaminant, a xenobiotic and a plant metabolite. It is an alkaloid ester, a methyl ester and a yohimban alkaloid. It is functionally related to a reserpic acid. An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. The FDA withdrew its approval for the use of all oral dosage form drug products containing more than 1 mg of reserpine. Reserpine is a Catecholamine-depleting Sympatholytic. The physiologic effect of reserpine is by means of Decreased Sympathetic Activity. Reserpine is an oral antihypertensive medication that acts through inhibitor of alpha-adrenergic transmission and was one of the first antihypertensive agents introduced into clinical practice. Despite widescale use for many years, reserpine has not been shown to cause clinically apparent liver injury. Reserpine is a natural product found in Rauvolfia yunnanensis, Alstonia constricta, and other organisms with data available. Reserpine is an alkaloid, derived from the roots of Rauwolfia serpentine and vomitoria, and an adrenergic uptake inhibitor with antihypertensive effects. Reserpine is lipid soluble and can penetrate blood-brain barrier. This agent binds and inhibits catecholamine pump on the storage vesicles in central and peripheral adrenergic neurons, thereby inhibiting the uptake of norepinephrine, dopamine serotonin into presynaptic storage vesicles. This results in catecholamines and serotonin lingering in the cytoplasm where they are destroyed by intraneuronal monoamine oxidase, thereby causing the depletion of catecholamine and serotonin stores in central and peripheral nerve terminals. Depletion results in a lack of active transmitter discharge from nerve endings upon nerve depolarization, and consequently leads to a decreased heart rate and decreased arterial blood pressure as well as sedative effects. An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. See also: Hydroflumethiazide; reserpine (component of); Polythiazide; reserpine (component of); Chlorthalidone; reserpine (component of) ... View More ... An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. [PubChem] C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AA - Rauwolfia alkaloids D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators C1744 - Multidrug Resistance Modulator CONFIDENCE standard compound; EAWAG_UCHEM_ID 2682 [Raw Data] CBA02_Reserpine_pos_30eV.txt [Raw Data] CBA02_Reserpine_pos_10eV.txt [Raw Data] CBA02_Reserpine_pos_20eV.txt [Raw Data] CBA02_Reserpine_pos_40eV.txt [Raw Data] CBA02_Reserpine_pos_50eV.txt Reserpine is an inhibitor of the vesicular monoamine transporter 2 (VMAT2). Reserpine is an inhibitor of the vesicular monoamine transporter 2 (VMAT2).
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] is found in green vegetables. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] is isolated from commercial rhubarb. Isolated from commercial rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] is found in green vegetables.
Harderoporphyrin
Harderoporphyrin is an intermediate in heme biosynthesis. It is formed in the conversion of coproporphyrinogen to protoporphyrinogen and excreted excessively in the feces in harderoporphyria. [HMDB] Harderoporphyrin is an intermediate in heme biosynthesis. It is formed in the conversion of coproporphyrinogen to protoporphyrinogen and excreted excessively in the feces in harderoporphyria.
Somniferine
Somniferine is an alkaloid from Papaver somniferum (opium poppy). Alkaloid from Papaver somniferum (opium poppy)
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-
6)-beta-D-glucopyranoside
Miconioside A
6,10-Diacetoxy-4,5-di(benzoyloxy)-9-hydroxy-3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzooxepin-7-one
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
2-(4-hydroxyphenyl)ethyl O-alpha-L-rhamnopyranosyl(1->3)-(6-O-caffeoyl)-beta-D-glucopyranoside|kankanoside G
3-alpha-L-rhamnopyranoside|Syringalide 3-??-L-rhamnopyranoside|syringalide A 3-alpha-L-rhamnopyranoside|syringalide A 3-alpha-rhamnopyranoside|syringalide A 3-O-alpha-L-rhamnopyranoside
isosyringalide 3-alpha-L-rhamnopyranoside|Isosyringalide 3-??-L-rhamnopyranoside|lipedoside A-I
(1R*,3aS*,4Z,8S*,8aS*,9R*,10S*,11S*,12aS*,13S*,13aS*)-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-13a-hydroxy-1,5,8a-trimethyl-12-methylidene-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8,9,10,11,13-pentayl pentaacetate|frajunolide B|rel-(1S,2S,5Z,7S,8S,9S,10S,12S,13S,14R,17R)-2,9,12,13,14-pentaacetoxy-8-hydroxybriara-5,11(20)-dien-18,7-olide
Subhirsine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
(5S)-5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone 5-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside|5-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranosyl-1,7-bis-(4-hydroxyphenyl)-heptan-3-one
Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
(5S)-5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone 5-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(5S)-5-hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone-5-O-beta-d-apiofuranosyl-(1?6)-beta-d-glucopyranoside
3-benzoyl-5,5,7,7,8,8-hexamethoxy-2-phenyl-spiro[2H-1-benzopyran-2,4-[4H-1]benzopyran]|welwitschin E
2-(4-hydroxyphenyl)ethyl beta-D-glucopyranosyl-(1-3)-4-O-p-coumaroyl-beta-D-glucopyranoside
(23epsilon)-1-O-benzoyl-17-defurano-17-(4-hydroxy-2-buten-4-olide-2-yl)salannic acid methyl ester|1-O-decinnamoyl-1-O-benzoyl-23-hydroxyohchininolide
16-acetoxy-11,17-dimethoxy-18-(3,4,5-trimethoxy-benzoyloxy)-yohimbane|Reserpin|Reserpine|roserpine
3,9-dihydroeucomin-7-rutinoside|7-O-[alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]-5-hydroxy-3-(4-methoxybenzyl)-chroman-4-one
11,17-dimethoxy-18-(3,4,5-trimethoxy-benzoyloxy)-16,17-didehydro-2,7-dihydro-yohimbane-16-carboxylic acid methyl ester
4-(4-hydroxyphenyl)-2-butanone 4-O-beta-D-(6-O-galloyl-2-O-cinnamoyl)glucopyranoside
Naringenin 5,7-dimethylether 4-O-[alpha-L-rhamnopyranosyl(1->4)-beta-D-glucopyranoside]
methylsalicylate 2-O-beta-D-glucopyranosyl-(1 -> 2)-[O-beta-D-xylopyranosyl-(1 -> 6)]-O-beta-D-glucopyranoside
Reserpine
CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3638; ORIGINAL_PRECURSOR_SCAN_NO 3636 C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AA - Rauwolfia alkaloids D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators C1744 - Multidrug Resistance Modulator CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3640; ORIGINAL_PRECURSOR_SCAN_NO 3636 CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7960; ORIGINAL_PRECURSOR_SCAN_NO 7956 CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7956; ORIGINAL_PRECURSOR_SCAN_NO 7955 CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7956; ORIGINAL_PRECURSOR_SCAN_NO 7953 CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7990; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7985; ORIGINAL_PRECURSOR_SCAN_NO 7982 CONFIDENCE standard compound; INTERNAL_ID 1013; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7983; ORIGINAL_PRECURSOR_SCAN_NO 7980 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2263 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.022 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.021 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2261; CONFIDENCE confident structure Reserpine is an inhibitor of the vesicular monoamine transporter 2 (VMAT2). Reserpine is an inhibitor of the vesicular monoamine transporter 2 (VMAT2).
3,5,7,8,15-pentaacetoxy-2-hydroxy-9,14-dioxojatropha-6(17),11E-diene
C31H44O12_beta-D-Glucopyranoside, 5-(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pentyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)
C31H44O12_(2E)-3,7-Dimethyl-2,6-octadien-1-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
Isoreserpin
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators Annotation level-1
3-Epireserpine
Origin: Plant; Formula(Parent): C33H40N2O9; Bottle Name:Isoreserpin; PRIME Parent Name:Isoreserpin; PRIME in-house No.:V0338; SubCategory_DNP: Monoterpenoid indole alkaloids, Yohimbinoid alkaloids, Indole alkaloids
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_80.4\\%
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_major
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_61.7\\%
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_73.1\\%
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_65.5\\%
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_minor
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol_52.3\\%
Ala Phe Trp Trp
Ala Trp Phe Trp
Ala Trp Trp Phe
Cys Asp Trp Trp
Cys Trp Asp Trp
Cys Trp Trp Asp
Asp Cys Trp Trp
Asp Trp Cys Trp
Asp Trp Trp Cys
Glu Phe Gln Trp
Glu Phe Trp Gln
Glu Gln Phe Trp
Glu Gln Trp Phe
Glu Trp Phe Gln
Glu Trp Gln Phe
Phe Ala Trp Trp
Phe Glu Gln Trp
Phe Glu Trp Gln
Phe Gln Glu Trp
Phe Gln Trp Glu
Phe Trp Ala Trp
Phe Trp Glu Gln
Phe Trp Gln Glu
Phe Trp Trp Ala
Met Ser Trp Trp
Met Trp Ser Trp
Met Trp Trp Ser
Gln Glu Phe Trp
Gln Glu Trp Phe
Gln Phe Glu Trp
Gln Phe Trp Glu
Gln Trp Glu Phe
Gln Trp Phe Glu
Ser Met Trp Trp
Ser Trp Met Trp
Ser Trp Trp Met
Thr Tyr Tyr Tyr
Trp Ala Phe Trp
Trp Ala Trp Phe
Trp Cys Asp Trp
Trp Cys Trp Asp
Trp Asp Cys Trp
Trp Asp Trp Cys
Trp Glu Phe Gln
Trp Glu Gln Phe
Trp Phe Ala Trp
Trp Phe Glu Gln
Trp Phe Gln Glu
Trp Phe Trp Ala
Trp Met Ser Trp
Trp Met Trp Ser
Trp Gln Glu Phe
Trp Gln Phe Glu
Trp Ser Met Trp
Trp Ser Trp Met
Trp Trp Ala Phe
Trp Trp Cys Asp
Trp Trp Asp Cys
Trp Trp Phe Ala
Trp Trp Met Ser
Trp Trp Ser Met
Tyr Thr Tyr Tyr
Tyr Tyr Thr Tyr
Tyr Tyr Tyr Thr
Somniferine
Methyl eugenol glycol
1,7-Bis(4-hydroxyphenyl)-3-heptanyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside
N4,N4,N4,N4-TETRAKIS(4-METHOXYPHENYL)-[1,1-BIPHENYL]-4,4-DIAMINE
N4,N4,N4,N4-Tetrakis(4-methoxyphenyl)[1,1-biphenyl]-4,4-diamine
Methoserpidine
C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AA - Rauwolfia alkaloids C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
disodium 17-(nonylphenoxy)-3,6,9,12,15-pentaoxaheptadecan-1-yl phosphate
2-(2,6-bis(bis(tert-butoxycarbonyl)aMino)-9H-purin-9-yl)acetic acid
N,N-Dimethyl-phosphoramidochloridic acid [(2S,6R)-6-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-4-(triphenylmethyl)-2-morpholinyl]methyl ester
4-(3-Oxobutyl)phenyl 6-O-[(2E)-3-phenyl-2-propenoyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside
Tetrabutylammonium bis(4-methyl-1,2-benzenedithiolato)nickelate
1,1,3,3,3,3-Hexamethyl-4,4,5,5-di-benzo-2,2-indotricarbocyanine perchlorate
Naronapride dihydrochloride
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
8,12-bis(2-carboxyethyl)-19-formyl-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ab-1,15(21H)-dione
8,12-bis(2-carboxyethyl)-19-formyl-3,7,13,18-tetramethyl-3,17-divinylbiladiene-ab-1,15(21H)-dione
Magnesium;3-[11,16-bis(ethenyl)-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18,20(23),21-dodecaen-22-yl]propanoate
[(2R)-2-[(3S,3aS,4S,4R,5S,6R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azaniumyl-2,6-dihydroxy-5-(methylazaniumyl)cyclohexyl]oxy-3,4,5,7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,6-oxane]-2-yl]-2-azaniumylethyl] phosphate
magnesium;(E)-3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18,20(23),21-dodecaen-22-yl)prop-2-enoate
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-amino-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12-(hydroxymethyl)-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[(8Z,17S,18S,19Z)-23-ethenyl-6-ethyl-13-hydroxy-14-methoxycarbonyl-5,18,22,26-tetramethyl-2-oxa-10,24,25,27-tetrazaheptacyclo[19.2.1.14,7.19,12.116,19.01,3.011,15]heptacosa-4,6,8,11(15),12(26),13,16(25),19,21(24),22-decaen-17-yl]propanoic acid
3-[(11E,12R,21S,22S)-11-ethylidene-16-(1-hydroxyethylidene)-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2,5,8(26),9,13(25),14,17,19-nonaen-22-yl]propanoic acid
3-[(21S,22S)-16-acetyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3,8,13,17-Tetramethyl-12-vinyl-2,7,18-porphinetripropionate
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
4-O-phosphohygromycin B(1+)
The conjugate acid of 4-O-phosphohygromycin B having an anionic phosphate group and all three amino groups protonated; major species at pH 7.3.
7-O-phosphohygromycin B(1+)
Conjugate acid of 7-O-phosphohygromycin B arising from protonation of the three amino groups and deprotonation of the phosphate OH groups; major species at pH 7.3.
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
2-[[(4R,7R,8S)-14-[[(2-chloroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(2S,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(1S,15S,17R,18R,19S,20R)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
3-[(3R,11Z,21S,22S)-16-acetyl-11-ethylidene-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaen-22-yl]propanoic acid
3-[(3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12-(hydroxymethyl)-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
[(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
(3S,16S)-11-hydroxy-7,16,22,26-tetramethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one
[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[(2R,5R,6E,13aS)-1,3a,10,11-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate
[(2R,5R,6E,13S,13aS)-1,3a,10,11-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]
Iron methylchlorin
A metallochlorin that is the iron(II) complex of 7,8-dihydroporphyrin which is substituted by methyl groups at positions 3, 7, 7, 8, 12, 13, and 17, and by carboxyethyl groups at positions 2 and 18.
6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester
[(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
(2e)-4-[10-hydroxy-20-(methoxycarbonyl)-5,5,6,18,18-pentamethyl-9-(3-methylbut-2-en-1-yl)-12,15-dioxo-2,7,19-trioxapentacyclo[11.7.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]icosa-3,8,10,13-tetraen-20-yl]-2-methylbut-2-enoic acid
(2s)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2e)-4-[(1r,6s,17r,20s)-10-hydroxy-20-(methoxycarbonyl)-5,5,6,18,18-pentamethyl-9-(3-methylbut-2-en-1-yl)-12,15-dioxo-2,7,19-trioxapentacyclo[11.7.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]icosa-3,8,10,13-tetraen-20-yl]-2-methylbut-2-enoic acid
(1r,2r,4s,5s,6s,7s,8r,9s,10s,11r,13s,15r,17r)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0¹,¹⁰.0²,⁶.0¹¹,¹⁵]octadecan-5-yl benzoate
3-[(4-hydroxyphenyl)(methoxy)methyl]-1-[(1e,3e)-3-[(4-hydroxyphenyl)methylidene]-2-oxo-4h-cyclopenta[b]indol-1-ylidene]-3-methoxy-4h-cyclopenta[b]indol-2-one
(2r,3s,4r,5r,6r)-6-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(1r,4ar,7r,7ar)-4-({[(2s,3s,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(2r,3r,4r,5r,6r)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
5-{2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl}-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-2-yl 3-(acetyloxy)-2-methylbutanoate
methyl (1r,2s,3r,6r,8s,9r,12s,13s,14r,15r,16s,17s)-3-{[(2e)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadecane-17-carboxylate
{[3,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-21-(methylsulfanyl)-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18-pentaen-9-yl]oxy}methanimidic acid
(1s,4as,6s,7s,7as)-7-(hydroxymethyl)-6-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
4-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-7-(hydroxymethyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
5-hydroxy-3-[(4-methoxyphenyl)methyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one
(1r,2r,3s,4r,5s,7s,8s,9r,10s,12z,14s,17r)-5,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
3-[(3s,21s,22s)-16-ethenyl-11-ethyl-3-hydroxy-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoic acid
6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0¹,¹⁰.0²,⁶.0¹¹,¹⁵]octadecan-5-yl benzoate
(1s,8r,9s,17r)-8,17-dihydroxy-13-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-[2-(4-methoxyphenyl)ethyl]-6,10-dioxatetracyclo[7.7.1.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),4,11,13,15-pentaen-3-one
16β-acetoxy-strophanthidin-3-β-d-o-rhamno-side
{"Ingredient_id": "HBIN001822","Ingredient_name": "16\u03b2-acetoxy-strophanthidin-3-\u03b2-d-o-rhamno-side","Alias": "NA","Ingredient_formula": "C31H44O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "282","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5alpha-acetyl-5alpha-decinnamoyltaxagifine
{"Ingredient_id": "HBIN011404","Ingredient_name": "5alpha-acetyl-5alpha-decinnamoyltaxagifine","Alias": "5\u03b1-acetyl-5\u03b1-decinnamoyltaxagifine","Ingredient_formula": "C30H40O13","Ingredient_Smile": "CC(=O)OC1CC(C2(C(C1=C)C(C3CC(=O)C4(C(C3(CO4)C)(C(C2OC(=O)C)OC(=O)C)O)C)OC(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26105;368","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol
{"Ingredient_id": "HBIN013382","Ingredient_name": "7-o-bata-d-apiofuranosyl-(1-6)-beta-d-glucopyranosylmatteucinol","Alias": "NA","Ingredient_formula": "C29H36O14","Ingredient_Smile": "CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30619","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-o-β-d-apiofuranosyl-(1→6)-β-d-glucopyra-nosylmatteucinol
{"Ingredient_id": "HBIN013384","Ingredient_name": "7-o-\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyra-nosylmatteucinol","Alias": "NA","Ingredient_formula": "C29H36O14","Ingredient_Smile": "CC1=C(C2=C(C(=C1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)C)OC(CC2=O)C5=CC=C(C=C5)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1512","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}