Exact Mass: 390.1503
Exact Mass Matches: 390.1503
Found 500 metabolites which its exact mass value is equals to given mass value 390.1503,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Loganin
Loganin is an iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties. It has a role as a plant metabolite, a neuroprotective agent, an EC 3.4.23.46 (memapsin 2) inhibitor, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an anti-inflammatory agent and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a cyclopentapyran, a beta-D-glucoside, an enoate ester, a monosaccharide derivative, an iridoid monoterpenoid, a methyl ester and a secondary alcohol. It is functionally related to a loganetin. Loganin is one of the best-known of the iridoid glycosides. It is named for the Loganiaceae, having first been isolated from the seeds of a member of that plant family, namely those of Strychnos nux-vomica. It also occurs in Alstonia boonei (Apocynaceae),[1] a medicinal tree of West Africa and in the medicinal/entheogenic shrub Desfontainia spinosa (Columelliaceae) native to Central America and South America. Loganin is a natural product found in Strychnos axillaris, Lonicera japonica, and other organisms with data available. An iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties. Loganin, also known as loganoside, is a member of the class of compounds known as iridoid o-glycosides. Iridoid o-glycosides are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. Thus, loganin is considered to be an isoprenoid lipid molecule. Loganin is soluble (in water) and a very weakly acidic compound (based on its pKa). Loganin can be found in a number of food items such as groundcherry, annual wild rice, muscadine grape, and broad bean, which makes loganin a potential biomarker for the consumption of these food products. Loganin is one of the best-known of the iridoid glycosides.It is named for the Loganiaceae,having first been isolated from the seeds of a member of that plant family, namely those of Strychnos nux-vomica. It also occurs in Alstonia boonei (Apocynaceae), a medicinal tree of West Africa and in the medicinal/entheogenic shrub Desfontainia spinosa (Columelliaceae) native to Central America and South America . Loganin is formed from loganic acid by the enzyme loganic acid O-methyltransferase (LAMT). Loganin then becomes a substrate for the enzyme secologanin synthase (SLS) to form secologanin, a secoiridoid monoterpene found as part of ipecac and terpene indole alkaloids. Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects. Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects.
Chlorpheniramine maleate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Chlorpheniramine maleate is a histamine H1 receptor antagonist with an IC50 of 12 nM[1][2][3].
DexChlorpheniramine Maleate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Dexchlorpheniramine maleate is an antihistamine with anticholinergic properties used in the study of allergic diseases.
Todatriol glucoside
Todatriol glucoside is a constituent of the fruit of Carum ajowan (ajowan). Constituent of the fruit of Carum ajowan (ajowan)
(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol
(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol is found in herbs and spices. (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol is a constituent of Zingiber officinale (ginger) Constituent of Zingiber officinale (ginger). (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol is found in herbs and spices.
Mesuagin
Constituent of seeds of Mammea americana (mamey). Mesuagin is found in fruits and mammee apple. Mesuagin is found in fruits. Mesuagin is a constituent of seeds of Mammea americana (mamey)
Rosmic acid
Rosmic acid is found in herbs and spices. Rosmic acid is a constituent of Rosmarinus officinalis (rosemary)
Loganoside
Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects. Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects.
Arctigenic acid
Epitalon
Flibanserin
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist G - Genito urinary system and sex hormones Flibanserin (BIMT-17; BIMT-17BS) is an orally active serotonin 5-HT1A receptor agonist and 5-HT2A receptor antagonist with Ki values of 1 nM and 49 nM, respectively. Flibanserin binds to dopamine D4 receptors with an Ki value of 4-24 nM. Flibanserin shows anti-depression and anti-anxiety effect, can be used to hypoactive sexual desire disorder (HSDD) research[1]-[5].
Regadenoson
Ethyl 5-benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylate
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Pseudolaric Acid C
CID 6440704 is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1]. Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1].
Pseudolaric
Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1]. Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1].
[3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid
[3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid
Rosmic acid
6-Butyryl-5-hydroxy-4-phenylseselin
PD-0333941
CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5220; ORIGINAL_PRECURSOR_SCAN_NO 5217 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5221; ORIGINAL_PRECURSOR_SCAN_NO 5219 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5258; ORIGINAL_PRECURSOR_SCAN_NO 5256 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5239; ORIGINAL_PRECURSOR_SCAN_NO 5234 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5321; ORIGINAL_PRECURSOR_SCAN_NO 5318 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5240; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9763; ORIGINAL_PRECURSOR_SCAN_NO 9762 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9786; ORIGINAL_PRECURSOR_SCAN_NO 9781 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9813; ORIGINAL_PRECURSOR_SCAN_NO 9811 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9834; ORIGINAL_PRECURSOR_SCAN_NO 9832 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9806; ORIGINAL_PRECURSOR_SCAN_NO 9804 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9850; ORIGINAL_PRECURSOR_SCAN_NO 9846
(3beta,6alpha,8alpha)-3-(acetyloxy)-8-{[2-(hydroxymethyl)acryloyl]oxy}eudesma-1,11(13)-dieno-12,6-lactone|loloanolide A|rel-(3aR,4S,5aS,8S,9S,9aS,9bR)-8-(acetyloxy)-2,3,3a,4,5,5a,8,9,9a,9b-decahydro-5a,9-dimethyl-3-methylene-2-oxonaphto[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
2-(glycer-2-yl)-5-(2-hydroxyethyl)phenyl-O-beta-D-glucopyranoside
(3S,6R,7R,8R)-3-Hydroxy-8-acetoxysarracenyloxygermacra-1(10),4,11(13)-trien-6,12-olide
13-acetoxy-8alpha-methacryloyloxy-4beta-hydroxy-bourbon-7(11)-en-6,12-olide
15-O-butanedioylpodocarpen-5,8(14)-dien-6-hydroxy-7,13-dione|abiesanordine A
8-Ac,3-O-(3-methylbutanoyl)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol
7-methoxy-8-[1-methoxy-2,4-dihydroxy-3-methylene-4-O-isovaleryl-butyl]coumarin|micromeloside C
7-methoxy-1-methyl-9H-beta-carbolin-8-yl beta-D-glucopyranoside|Ruine
4-O-methylguaiacyl glycerol 2-O-beta-D-glucopyranoside|4-O-methylguaiacylglycerol 2-O-beta-D-glucopyranoside|4-O-methylguaiacylglycerol 8-O-beta-glucopyranoside
(4R,6R,7S,8R,10S)-3-Oxo-8-acetoxysarracenyloxyjujuyensa-1,11(13)-dien-6,12-olide
(+)- justiciresinol|(+)-5-methoxylariciresinol|(+)-methoxylariciresinol
6-(2-Methylpropanoyl),8-Ac-(1alpha,5beta,6alpha,8beta,9beta,10alpha)-6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide|8-O-acetyl-desacyllinearifolin B-6-O-isobutyrate
3-Angeloyl,7-(2-methylpropanoyl),8-Ac-9,10-Epoxy-P-mentha-1,3,5-triene-3,7,8-triol|9-acetoxy-7-isobutyryloxy-8,10-dihydro-8,10-epoxythymol-angelate
methyl-3-(3-hydroxy-3,3-dimethylprop-1-enyl)-4-O-(beta-acetoxybutyryl)-coumarate
8-desacyl-2,3-trans-ereglomerulide-8-O-methacrylate
(+)-(6R,7S,8S)-5-methoxyisolariciresinol|(-)-5-Methoxyisolariciresinol|5-methoxy-(+)-isolariciresinol|lyoniresinol
(1R,2R)-4-O-Methylguaiacyl glycerol 3-O-??-D-glucopyranoside|(1R,2R)-4-O-methylguaiacylglycerol 3-O-beta-D-glucopyranoside|(1R,2R)-O-methylguaiacyl glycerol 3-O-beta-D-glucopyranoside|4-O-methylguaiacylglycerol 9-O-beta-glucopyranoside
1,7-Bis(3,4-dihydroxyphenyl)-3-acetoxy-5-hydroxyheptane
4,5,7-trihydroxy-3,3,5-trimethoxy-8,4-oxyneolign-7E-ene
3-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)propyl beta-D-glucopyranoside|juniperoside XI
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)propyl beta-D-glucopyranoside|juniperoside X
(2R,3R,4S,5S)-6,8-dimethoxy-7-(3,7-dimethyl-4,5-epoxy-2-hydroxyocta-6-enyloxy)coumarin|altissimacoumarin F
(+)-7-methoxyariciresinol|(7S*,8R*,8S*)-3,3,7-trimethoxy-4,9,4-trihydroxy-8.8,7.0.9-lignan
(1R,3S,5S,6S)-1,5-epoxy-3,6-dihydroxy-1,7-bis(3-methoxy-4-hydroxyphenyl)heptane|kravanhol A
2,4,6-trihydroxy-3-(4-hydroxycinnamyl)dihydrochalcone|balsacone C
(2S,3aR,4S,5aR,10aR,10bR)-2-(2,5-dihydro-2-hydroxy-5-oxofuran-3-yl)-2-methoxy-3a,4,10b-trimethyl-3,3a,4,5,5a,9,10,10b-octahydro-2H,7H-naphtho[4a,4-b:1,8-b?c?]difuran-7-one|ciliatolide C
(3R*,7R*,8S*)-3-(2-Methyl)propanoyloxy-15-acetoxy-14-oxomelampa-1(10),4,11(13)-trien-8,12-olide
arctigenic acid|L-threo-4-Hydroxy-2-(4-hydroxy-3-methoxy-benzyl)-3-(3.4-dimethoxy-benzyl)-buttersaeure|L-threo-4-hydroxy-2-(4-hydroxy-3-methoxy-benzyl)-3-(3.4-dimethoxy-benzyl)-butyric acid
(2R*,3S*,7R*,8S*)-2,3-Epoxy-14-acetoxy-15-(2-methyl)propanoyloxymelampa-1(10),4,11(13)-trien-8-12-olide
(-)-caulerpenynol|7,7-C-didehydro-6-hydroxy-6,7-dihydrocaulerpenyne|caulerpenynol
(4bS,7R,8aR,9S,10S)-7-Formyloxy-4b,5,6,7,8,8a,9,10-octahydro-3,9,10-trihydroxy-4b,8,8-trimethyl-2-(2-propenyl)phenanthren-1,4-dion
(1R*,4aS*,5R*,7R*,7aR*)-1-<(beta-D-glucopyranosyl)oxy>-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7methylcyclopentapyran-6-yl acetate|(1R*,4aS*,5R*,7R*,7aR*)-1-[(beta-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7methylcyclopenta[c]pyran-6-yl acetate
(1(10)E,4Z,6alpha,8beta,9alpha)-9-ethoxy-6,15-dihydroxy-8-(2-methylacryloxy)-14-oxogermacra-1(10),4,11(13)-trieno-12,6-lactone|rel-(3aR,4R,5R,6E,10Z,11aS)-5-ethoxy-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylidene-2-oxocyclodeca[b]furan-4-yl 2-methylprop-2-enoate
6-(2-Methyl-2-propenoyl),1-Ac-(1alpha,6beta,10beta)-1,6,10-Trihydroxyfuranoeremophlian-9-one
(3R,6R,7R,8R)-3-Acetoxy-8-sarracenyloxyhelianga-1(10),4,11(13)-trien-6,12-olide
3beta-angeloyloxy-8beta-methoxyeremophil-7(11)-ene-12,8alpha(14beta,6alpha)-diolide|3??-Angeloyloxy-8??-methoxyeremophil-7(11)-ene-12,8??(14??,6??)-diolide
(4S,1E)-3-[(Z)-acetoxymethylene]-10,11-epoxy-7,11-dimethyldodeca-1,10-dien-8-yne-1,4-diyl diacetate|10,11-epoxycaulerpenyne
4-Butyryl-6-(2,4-dioxo-6-propyl-3,4-dihydro-2H-pyran-3-ylmethyl)-2,2-dimethyl-cyclohexan-1,3,5-trion|4-butyryl-6-(2,4-dioxo-6-propyl-3,4-dihydro-2H-pyran-3-ylmethyl)-2,2-dimethyl-cyclohexane-1,3,5-trione
7-(3,7-dimethyl-7-hydroxy-2,3-oxy-5-octenyl)oxyisofraxidin|altissimacoumarin A
(acetoxymethyl-methylene-oxo-[?]yl)methyl 2-methylpropanoate
(3R*,7R*,8S*)-3-Acetoxy-15-(2-methyl)propanoyloxy-14-oxomelampa-1(10),4,11(13)-trien-8,12-olide
15-acetoxy-1alpha-<4-hydroxymethacryloyloxy>-arbusculin B
5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one
C21H26O7_(2E,4E)-6-{[(5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl]oxy}-6-oxo-2,4-hexadienoic acid
C17H26O10_2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-hydroxyethyl)-, methyl ester, (2S,3R,4S)
methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one [IIN-based: Match]
methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate_major
Ala Ala Asp Asp
Ala Cys Pro Thr
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Ala Asp Glu Gly
Ala Asp Gly Glu
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Cys Thr Pro Ala
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Asp Ala Gly Glu
Asp Asp Ala Ala
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Asp Glu Gly Ala
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Asp Gly Glu Ala
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Glu Ala Gly Asp
Glu Asp Ala Gly
Glu Asp Gly Ala
Glu Glu Gly Gly
Glu Gly Ala Asp
Glu Gly Asp Ala
Glu Gly Glu Gly
Glu Gly Gly Glu
Gly Ala Asp Glu
Gly Ala Glu Asp
Gly Asp Ala Glu
Gly Asp Glu Ala
Gly Glu Ala Asp
Gly Glu Asp Ala
Gly Glu Glu Gly
Gly Glu Gly Glu
Gly Gly Glu Glu
Gly Met Pro Ser
Gly Met Ser Pro
Gly Asn Asn Ser
Gly Asn Ser Asn
Gly Pro Met Ser
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Gly Ser Asn Asn
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Asn Gly Ser Asn
Asn Asn Gly Ser
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Pro Ala Cys Thr
Pro Ala Thr Cys
Pro Cys Ala Thr
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Pro Gly Met Ser
Pro Gly Ser Met
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Ser Gly Asn Asn
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Ser Asn Asn Gly
Ser Pro Gly Met
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Thr Ala Cys Pro
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Thr Pro Cys Ala
Chidamide
5-{4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-2-yl}-3-methoxybenzene-1,2-diol
Todatriol glucoside
Methyl (1S)-1-(?-D-glucopyranosyloxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Methyl (1S)-1-(?-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate
ZK93423
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
RS 102895 hydrochloride
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Sultopride hydrochloride
Sultopride hydrochloride (LIN-1418 hydrochloride) is a selective antagonist of dopamine D2 receptor.
Regadenoson
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C - Cardiovascular system > C01 - Cardiac therapy Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Regadenoson (CVT-3146) is a selective A2A adenosine receptor agonist and vasodilator that increases coronary blood flow, can be used in study of myocardial perfusion imaging. Regadenoson also increases the permeability of the blood-brain barrier (BBB) in rodents, can be used to study increased delivery of agents to the human CNS[1][2]. Regadenoson (CVT-3146) is a selective A2A adenosine receptor agonist and vasodilator that increases coronary blood flow, can be used in study of myocardial perfusion imaging. Regadenoson also increases the permeability of the blood-brain barrier (BBB) in rodents, can be used to study increased delivery of agents to the human CNS[1][2].
N-benzyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline
ALPHA,ALPHA-DI-TERT-BUTYL-ALPHA,ALPHA-DICYANO-2,3,5,6-TETRAFLUORO-1,4-BENZENEDIACETONITRILE
Valganciclovir Hydrochloride
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Valganciclovir hydrochloride is an orally active antiviral agent. Valganciclovir hydrochloride can inhibit the growth of adenoviruses and have a protective effect on immunosuppressed hamsters. Valganciclovir hydrochloride can be used for the research of Cytomegalovirus[1][2][3].
1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine dihydrochloride
Epithalon
Epitalon is an anti-aging agent and a telomerase activator. Epitalon has an inhibitory effect of the on the development of spontaneous tumors in mice, has geroprotective actions and intranasal administration increases neuronal activity. Epitalon can be used for cancer, old age and Retinitis Pigmentosa[1].
(2R)-2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl valinate hydrochloride (1:1)
Tucidinostat
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
6-amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl) -7-methyl-7,9-dihydro-8H-purin-8-one
Glycine, N-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-, methyl ester, hydrochloride (1:1)
2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone, 2,8-bis(phenylmethyl)
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
epi-isochromophilone II
An azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a chloro group at position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3, a hydroxy group at position 7, a methyl group at position 7 and a 2-oxopropyl group at position 8. Isolated from Chaetomium cupreum, it exhibits antifungal activity.
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
2-[2,4-dioxo-3-(phenylmethyl)-1-quinazolinyl]-N-(5-methyl-3-isoxazolyl)acetamide
1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (E)-
Flibanserin
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist G - Genito urinary system and sex hormones Flibanserin (BIMT-17; BIMT-17BS) is an orally active serotonin 5-HT1A receptor agonist and 5-HT2A receptor antagonist with Ki values of 1 nM and 49 nM, respectively. Flibanserin binds to dopamine D4 receptors with an Ki value of 4-24 nM. Flibanserin shows anti-depression and anti-anxiety effect, can be used to hypoactive sexual desire disorder (HSDD) research[1]-[5].
(-)-5-Methoxyisolariciresinol
A lignan that is 5,6,7,8-tetrahydronaphthalen-2-ol substituted by two hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 8. It has been isolated from the stems of Sinocalamus affinis.
5-chloro-2-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)-N-(6-(3-methoxybenzamido)pyridin-3-yl)isonicotinamide
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucine
Sodium prasterone sulfate
Dehydroepiandrosterone sulfate sodium salt (DHEAS) is the most abundant circulating steroid in human. Dehydroepiandrosterone sulfate sodium salt (DHEAS) affects steroid hormone biosynthesis on a molecular level resulting in an increased formation of pregnenolone[1].
2-Furancarboxylic acid [4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
Glu-Gly-Trp
A tripeptide composed of L-glutamic acid, glycine and L-tryptophan joined in sequence by peptide linkages.
Trp-Ala-Asp
A tripeptide composed of L-tryptophan, L-alanine, and L-aspartic acid joined by a peptide linkage.
Ala-Ala-Asp-Asp
A tetrapeptide composed of two L-alanine units linked to two L-aspartic acid units by peptide linkages.
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-cyclohexyl-2-furancarboxamide
Cyclopentanecarboxylic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester
3-(1-Methyl-2-benzimidazolyl)-1-phenyl-2-pyrrolo[3,2-b]quinoxalinamine
1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone
ethyl 4-[5-amino-3-oxo-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]benzoate
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide
5-Methoxy-8-(2-hydroxy-3-buthoxy-3-methylbutyloxy)psoralen
A member of the class of psoralens that is psoralen substituted by a methoxy group at position 4 and a [(2R)-3-butoxy-2-hydroxy-3-methylbutyl]oxy group at position 9. Isolated from the roots of Angelica dahurica, it exhibits inhibitory activity against COX-2 and 5-lipooxygenase.
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
(4R)-4-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoate
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester
(4-fluorophenyl)-[(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
(6Z)-6-[[4-(diethylamino)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
methyl (3aR,4R,5R,6E,10E,11aR)-5-hydroxy-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol
(+)-5-methoxylariciresinol
A lignan that is (+)-lariciresinol substituted by a methoxy group at position 5. It has been isolated from the stems of Sinocalamus affinis.
sodium dehydroepiandrosterone sulfate
An organic sodium salt that is the monosodium salt of dehydroepiandrosterone sulfate.
Emraclidine
Emraclidine (CVL-231) is a muscarinic M4 receptor positive allosteric modulator (WO2018002760, compound 11). Emraclidine can be used for the research of neurological diseases[1].
MARK4 inhibitor 1
MARK4 inhibitor 1 is a potent and selective microtubule affinity-regulating kinase 4 (MARK4) inhibitor, with an IC50 of 1.54 μM. MARK4 inhibitor 1 inhibits cancer cell proliferation, metastasis and induces apoptosis[1].
RSK4-IN-1
RSK4-IN-1 is a potent RSK4 inhibitor with a IC50 value of 9.5 nM. RSK4-IN-1 has antitumor activity[1].
(1r,2r,5r,6r,7s,8s)-2,8-dihydroxy-1-methoxy-7-(7-methoxy-2h-1,3-benzodioxol-5-yl)-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]octan-3-one
(2r,3r,4s,5s,6r)-2-{[(1r,2s)-1-(3,4-dimethoxyphenyl)-1,3-dihydroxypropan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3as,4r,5s,9s,9as,9bs)-5-(acetyloxy)-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
(1s,4ar,7s,7as)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl acetate
methyl (1s,4as,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
(1s,2r,5s,6r,9r,10r)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.0¹,⁹.0²,⁶]tridec-7-en-5-yl (2z)-hex-2-enoate
8-(acetyloxy)-2-(hexa-2,4-diyn-1-ylidene)-4-hydroxy-1,6-dioxaspiro[4.5]decan-3-yl 3-methylbutanoate
methyl (1r,4as,7s,7as)-7-hydroxy-7-methyl-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
14-methoxy-3-methyl-9-methylidene-8-oxo-4,7,15-trioxatetracyclo[11.2.1.0³,⁵.0⁶,¹⁰]hexadec-13(16)-en-11-yl 2-methylbut-2-enoate
(1s,2r,4r,6s,8r,9z,11s)-8-(acetyloxy)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylprop-2-enoate
2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,12-dien-9-yl 2-methylbut-2-enoate
4-{hydroxy[(3s,4s)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl}-2,6-dimethoxyphenol
methyl 11-hydroxy-4-[(2-methylbut-2-enoyl)oxy]-3,10-dimethylidene-2-oxo-3ah,4h,5h,8h,9h,11h,11ah-cyclodeca[b]furan-6-carboxylate
methyl (1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-{[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1r,4ar,7r,7ar)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
(3ar,4r,9r,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2z)-2-hydroxybut-2-enoate
2-({6-hydroxy-4-[hydroxy(methoxy)methyl]-7-methylidene-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
[(1r,3s,7r,9r)-1-[(acetyloxy)methyl]-6-methylidene-5-oxo-4,12-dioxatricyclo[7.5.0.0³,⁷]tetradeca-10,13-dien-10-yl]methyl 2-methylpropanoate
(2e,4e)-5-[(1r,7s,8r,9r)-7-hydroxy-4-(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
8-hydroxy-4'-methyl-6,9-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-3,2'-oxetan]-4-yl 2-(hydroxymethyl)prop-2-enoate
(3ar,4r,11ar)-10-[(acetyloxy)methyl]-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(2s,3r,4s,5s,6r)-2-[3-hydroxy-2-methyl-5-(2-phenylethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2z,5z,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6-(hydroxymethyl)-10-methylundeca-5,9-dienoic acid
methyl (2s,4ar,6ar,10ar,10br)-2-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-6a,10b-dimethyl-4-oxo-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
(3s,4s)-3-hydroxy-4-methoxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl 3-methylbutanoate
(1s,4as,7s,7as)-4a-hydroxy-7-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl acetate
methyl (1s,4ar,5s,7s,7ar)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(1r)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl 3-methylbutanoate
10-[(acetyloxy)methyl]-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(4ar,5s,6r,6as,11as,11br)-4a,6-dihydroxy-4,4,11b-trimethyl-1,7-dioxo-2h,3h,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-5-yl acetate
[5,8-dihydroxy-7-(2-hydroxypropyl)-1,4a-dimethyl-6,10-dioxo-2,3,4,10a-tetrahydrophenanthren-1-yl]methyl formate
(1s,4ar,7s,7as)-4a-hydroxy-7-methyl-1-{[(2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl acetate
(1e,3z,4s,6e)-1-(acetyloxy)-3-[(acetyloxy)methylidene]-9-[(2r)-3,3-dimethyloxiran-2-yl]-7-methylnona-1,6-dien-8-yn-4-yl acetate
6-({9b-hydroxy-6,6,9a-trimethyl-1-oxo-3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl}oxy)-6-oxohexa-2,4-dienoic acid
(7r,8r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8h-isochromen-6-one
methyl 6-hydroxy-7-methyl-1-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1s,4as,5s,7s,7ar)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1s,4ar,5s,7r,7ar)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1s,4as,5r,7r,7ar)-5-hydroxy-7-methyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(1s,4ar,5r,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl acetate
1'-(3-hydroxy-4,5-dimethoxyphenyl)-propane-2',3'-diol 3'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN001242","Ingredient_name": "1'-(3-hydroxy-4,5-dimethoxyphenyl)-propane-2',3'-diol 3'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H26O10","Ingredient_Smile": "COC1=CC(=CC(=C1OC)O)CC(COC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-beta-glucogeniposide
{"Ingredient_id": "HBIN002397","Ingredient_name": "1-beta-glucogeniposide","Alias": "NA","Ingredient_formula": "C17H26O10","Ingredient_Smile": "COC(=O)C1COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25699","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1'r,2'r)-4-o-methylguaiacyl glycerol 3'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003046","Ingredient_name": "(1'r,2'r)-4-o-methylguaiacyl glycerol 3'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H26O10","Ingredient_Smile": "COC1=C(C=C(C=C1)C(C(COC2C(C(C(C(O2)CO)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14468","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ethanoate
{"Ingredient_id": "HBIN003257","Ingredient_name": "[(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ethanoate","Alias": "[(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate; acetic acid [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ester; [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate; acetic acid [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ester","Ingredient_formula": "C17H26O10","Ingredient_Smile": "NA","Ingredient_weight": "390.38","OB_score": "6.594198254","CAS_id": "52916-96-8","SymMap_id": "SMIT10213","TCMID_id": "NA","TCMSP_id": "MOL009020","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-Dihydroverbenalin
{"Ingredient_id": "HBIN007370","Ingredient_name": "3,4-Dihydroverbenalin","Alias": "2-[7-methyl-5-oxo-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-4-yl]acetic acid; 3,4-dihydroverbenalin; AC1NSULZ","Ingredient_formula": "C17H26O10","Ingredient_Smile": "CC1CC(=O)C2C1C(OCC2CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "390.43","OB_score": "10.81682989","CAS_id": "NA","SymMap_id": "SMIT01197","TCMID_id": "5734","TCMSP_id": "MOL008758","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylajugol
{"Ingredient_id": "HBIN012592","Ingredient_name": "6-o-acetylajugol","Alias": "NA","Ingredient_formula": "C17H26O10","Ingredient_Smile": "CC(=O)OC1CC(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)(C)O","Ingredient_weight": "390.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "308","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10596537","DrugBank_id": "NA"}
7-epi-Loganin
{"Ingredient_id": "HBIN013178","Ingredient_name": "7-epi-Loganin","Alias": "7-epi-loganin","Ingredient_formula": "C17H26O10","Ingredient_Smile": "CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "390.4 g/mol","OB_score": "4.777690361","CAS_id": "NA","SymMap_id": "SMIT05233","TCMID_id": "28116","TCMSP_id": "MOL003099","TCM_ID_id": "NA","PubChem_id": "71676045","DrugBank_id": "NA"}
8-epiloganin
{"Ingredient_id": "HBIN013722","Ingredient_name": "8-epiloganin","Alias": "8-epi-loganin","Ingredient_formula": "C17H26O10","Ingredient_Smile": "CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "390.4 g/mol","OB_score": "11.68476547","CAS_id": "NA","SymMap_id": "SMIT05207","TCMID_id": "6952;30219","TCMSP_id": "MOL003073","TCM_ID_id": "NA","PubChem_id": "10548420","DrugBank_id": "NA"}
Ajugoside_qt
{"Ingredient_id": "HBIN014998","Ingredient_name": "Ajugoside_qt","Alias": "ajugoside_qt","Ingredient_formula": "C17H26O10","Ingredient_Smile": "NA","Ingredient_weight": "390.38","OB_score": "81.68080326","CAS_id": "52916-96-8","SymMap_id": "SMIT05724","TCMID_id": "NA","TCMSP_id": "MOL003692;MOL009021;MOL012317","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
