Exact Mass: 390.1573
Exact Mass Matches: 390.1573
Found 232 metabolites which its exact mass value is equals to given mass value 390.1573,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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.
Todatriol glucoside
Todatriol glucoside is a constituent of the fruit of Carum ajowan (ajowan). Constituent of the fruit of Carum ajowan (ajowan)
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.
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].
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
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
2-(glycer-2-yl)-5-(2-hydroxyethyl)phenyl-O-beta-D-glucopyranoside
4-O-methylguaiacyl glycerol 2-O-beta-D-glucopyranoside|4-O-methylguaiacylglycerol 2-O-beta-D-glucopyranoside|4-O-methylguaiacylglycerol 8-O-beta-glucopyranoside
(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
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
(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
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
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 Cys Pro Thr
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Gly Met Pro Ser
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Gly Asn Asn Ser
Gly Asn Ser Asn
Gly Pro Met Ser
Gly Pro Ser Met
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Gly Ser Asn Asn
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Met Gly Pro Ser
Met Gly Ser Pro
Met Pro Gly Ser
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Met Ser Gly Pro
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Asn Gly Asn Ser
Asn Gly Ser Asn
Asn Asn Gly Ser
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Pro Ala Cys Thr
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Chidamide
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
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
Tucidinostat
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
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
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-chloro-2-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)-N-(6-(3-methoxybenzamido)pyridin-3-yl)isonicotinamide
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].
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.
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
(4R)-4-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoate
(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
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].
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].
(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
(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
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
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
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
(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
(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
(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"}
