Exact Mass: 404.117
Exact Mass Matches: 404.117
Found 500 metabolites which its exact mass value is equals to given mass value 404.117,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Feretoside
Scandoside methyl ester is a terpene glycoside. Scandoside methyl ester is a natural product found in Feretia apodanthera, Gardenia jasminoides, and other organisms with data available.
Gardenoside
A cyclopentapyran that is 7-deoxyloganin with a methyl and hydrogen replaced by hydroxy and hydroxymethyl groups at position 7. Gardenoside is a natural product found in Gardenia jasminoides, Catunaregam obovata, and other organisms with data available. Gardenoside is a natural compound found in Gardenia fruits, with hepatoprotective properties. Gardenoside suppresses the pain of chronic constriction injury by regulating the P2X3 and P2X7 receptors. Gardenoside has an inhibitory effect on free fatty acids (FFA)-induced cellular steatosis[1][2]. Gardenoside is a natural compound found in Gardenia fruits, with hepatoprotective properties. Gardenoside suppresses the pain of chronic constriction injury by regulating the P2X3 and P2X7 receptors. Gardenoside has an inhibitory effect on free fatty acids (FFA)-induced cellular steatosis[1][2]. Gardenoside is a natural compound found in Gardenia fruits, with hepatoprotective properties. Gardenoside suppresses the pain of chronic constriction injury by regulating the P2X3 and P2X7 receptors. Gardenoside has an inhibitory effect on free fatty acids (FFA)-induced cellular steatosis[1][2].
Sulfinpyrazone
Sulfinpyrazone is only found in individuals that have used or taken this drug. It is a uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties. [PubChem]Sulfinpyrazone is an oral uricosuric agent (pyrazolone derivative) used to treat chronic or intermittent gouty arthritis. Sulfinpyrazone competitively inhibits the reabsorption of uric acid at the proximal convoluted tubule, thereby facilitating urinary excretion of uric acid and decreasing plasma urate concentrations. This is likely done through inhibition of the urate anion transporter (hURAT1) as well as the human organic anion transporter 4 (hOAT4). Sulfinpyrazone is not intended for the treatment of acute attacks because it lacks therapeutically useful analgesic and anti-inflammatory effects. Sulfinpyrazone and its sulfide metabolite possess COX inhibitory effects. Sulfinpyrazone has also been shown to be a UDP-glucuronsyltransferase inhibitor and a very potent CYP2C9 inhibitor. Sulfinpyrazone is also known to be a cystic fibrosis transmembrane conductance regulator (CFTR) inhibitor as well as an inhibitor of several multridrug resistance proteins (MRPs). M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C26170 - Protective Agent > C921 - Uricosuric Agent
Citalopram hydrobromide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
Oleoside 11-methyl ester
Oleoside 11-methyl ester is found in herbs and spices. Oleoside 11-methyl ester is a constituent of Jasminum sambac (Arabian jasmine). Constituent of Jasminum sambac (Arabian jasmine). Oleoside 11-methyl ester is found in tea, olive, and herbs and spices.
Glycerol tribenzoate
Glycerol tribenzoate is a flavouring ingredien Flavouring ingredient
Citromitin
Citromitin is found in citrus. Citromitin is a constituent of Citrus sp. (Dancy tangerine). It is isolated from Xinhui citrus peel. Constituent of Citrus species (Dancy tangerine). Isolated from Xinhui citrus peel. Citromitin is found in citrus.
(E)-4'-Methylresveratrol 3-glucoside
(E)-4-Methylresveratrol 3-glucoside is found in green vegetables. (E)-4-Methylresveratrol 3-glucoside is a constituent of rhubarb (Rheum rhaponticum) root. Constituent of rhubarb (Rheum rhaponticum) root. (E)-4-Methylresveratrol 3-glucoside is found in green vegetables.
Cassiaside
Isolated from seeds of Cassia tora (charota). Cassiaside is found in coffee and coffee products, herbs and spices, and pulses. Cassiaside is found in coffee and coffee products. Cassiaside is isolated from seeds of Cassia tora (charota).
Pinostilbenoside
Isolated from the bark of Picea koraiensis (Korean pine). Pinostilbenoside is found in herbs and spices and fruits. Pinostilbenoside is found in fruits. Pinostilbenoside is isolated from the bark of Picea koraiensis (Korean pine).
Mollicellin D
Mollicellin D is produced by Chaetomium species and mycotoxin. Production by Chaetomium subspecies and mycotoxin.
Bentiromide
Bentiromide is a peptide used as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy. It is given by mouth as a noninvasive test. The amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas. Headache and gastrointestinal disturbances have been reported in patients taking bentiromide. Bentiromide is not available in the U.S. or Canada (It was withdrawn in the US in October 1996). V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CK - Tests for pancreatic function D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents Bentiromide is a peptide that is broken down in the pancreas by chymotrypsin. The bentiromide test is an excellent means of confirming the diagnosis of pancreatic exocrine insufficiency by outpatient test of chymotrypsin function[1].
Glyceryl lactopalmitate
Glyceryl lactopalmitate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
cis-Resveratrol 3-O-glucuronide
cis-Resveratrol 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
cis-Resveratrol 4'-O-glucuronide
cis-Resveratrol 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
trans-Resveratrol 3-O-glucuronide
trans-Resveratrol 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
trans-Resveratrol 4'-O-glucuronide
trans-Resveratrol 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Zopiclone N-oxide
Zopiclone N-oxide is a primary, active metabolite of zopiclone. Zopiclone (brand names Imovane, Zimovane, and Dopareel) is a nonbenzodiazepine hypnotic agent used in the treatment of insomnia. Zopiclone is molecularly distinct from benzodiazepine drugs and belongs to the class of drugs known as cyclopyrrolones. However, zopiclone increases the normal transmission of the neurotransmitter gamma-aminobutyric acid (GABA) in the central nervous system, via modulating benzodiazepine receptors in the same way that benzodiazepine drugs do (Wikipedia).
1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione
Scandoside methyl ester
1,3-Benzodioxolane-5-carboxylicacid4'-benzyloxy-3'-methoxybenzylidenehydrazide
Gardenoside
Ipragliflozin
Chembl4483049
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamide
p38 MAP Kinase Inhibitor III
Secoxyloganin
VX-702
Hastatoside
Hastatoside is an iridoid monoterpenoid with formula C17H24O11 that is isolated from several plants including Verbena officinalis and exhibits a sleep-promoting effect. It has a role as a plant metabolite and a hepatoprotective agent. It is a beta-D-glucoside, an iridoid monoterpenoid, a cyclopentapyran, a monosaccharide derivative, a monoterpene glycoside, an alpha,beta-unsaturated carboxylic ester and a methyl ester. Hastatoside is a natural product found in Penstemon grandiflorus, Penstemon nitidus, and other organisms with data available. Hastatoside 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. Hastatoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Hastatoside can be found in common verbena, which makes hastatoside a potential biomarker for the consumption of this food product. Hastatoside is an iridoid glycoside that is isolated from Verbena officinalis and has a role in promoting sleep[1]. Hastatoside is an iridoid glycoside that is isolated from Verbena officinalis and has a role in promoting sleep[1].
Desoxyrhaponticin
Desoxyrhaponticin is a member of the class of compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Desoxyrhaponticin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Desoxyrhaponticin can be found in garden rhubarb, which makes desoxyrhaponticin a potential biomarker for the consumption of this food product.
kaempferol 7-O-neohesperidoside
Pallidol 3, 3'-diglucoside
65J8K23L9L
Secoxyloganin is a secoiridoid glycoside that is [(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside. It has been isolated from several plant species and exhibits antioxidant and anti-allergic properties. It has a role as a plant metabolite, an antioxidant and an anti-allergic agent. It is a methyl ester, a member of pyrans, an enoate ester, a beta-D-glucoside, a monosaccharide derivative, a dicarboxylic acid monoester and a secoiridoid glycoside. It is a conjugate acid of a secoxyloganin(1-). Secoxyloganin is a natural product found in Lonicera japonica, Phillyrea latifolia, and other organisms with data available. See also: Lonicera japonica flower (part of). A secoiridoid glycoside that is [(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside. It has been isolated from several plant species and exhibits antioxidant and anti-allergic properties. Secoxyloganin, isolated from Lonicera japonica Thunb, inhibits the blood flow (BF) decrease. Secoxyloganin has allergy-preventive activity[1]. Secoxyloganin, isolated from Lonicera japonica Thunb, inhibits the blood flow (BF) decrease. Secoxyloganin has allergy-preventive activity[1].
Hastatoside
Hastatoside is an iridoid monoterpenoid with formula C17H24O11 that is isolated from several plants including Verbena officinalis and exhibits a sleep-promoting effect. It has a role as a plant metabolite and a hepatoprotective agent. It is a beta-D-glucoside, an iridoid monoterpenoid, a cyclopentapyran, a monosaccharide derivative, a monoterpene glycoside, an alpha,beta-unsaturated carboxylic ester and a methyl ester. Hastatoside is a natural product found in Penstemon grandiflorus, Penstemon nitidus, and other organisms with data available. An iridoid monoterpenoid with formula C17H24O11 that is isolated from several plants including Verbena officinalis and exhibits a sleep-promoting effect. Hastatoside is an iridoid glycoside that is isolated from Verbena officinalis and has a role in promoting sleep[1]. Hastatoside is an iridoid glycoside that is isolated from Verbena officinalis and has a role in promoting sleep[1].
6A-Hydroxygeniposide
Deacetyl asperulosidic acid methyl ester is a natural product found in Gardenia jasminoides, Rothmannia globosa, and other organisms with data available. Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1]. Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1].
Deoxyrhapontin
Desoxyrhaponticin is a stilbenoid and a glycoside. Desoxyrhaponticin is a natural product found in Rheum palmatum, Rheum undulatum, and other organisms with data available. Desoxyrhaponticin is a kind of oral drug that inhibits effective fatty acid synthesis (FASN), and has a fatal effect on cancer cells. Desoxyrhaponticin has the ability to inhibit glucose uptake, improve oral glucose tolerance as a diabetic agent, and possess anti-diabetic effects[1][2]. Desoxyrhaponticin is a stilbene glycoside from the Tibetan nutritional food Rheum tanguticum Maxim. Desoxyrhaponticin is a Fatty acid synthase (FASN) inhibitor, and has apoptotic effect on human cancer cells[1]. Desoxyrhaponticin is a stilbene glycoside from the Tibetan nutritional food Rheum tanguticum Maxim. Desoxyrhaponticin is a Fatty acid synthase (FASN) inhibitor, and has apoptotic effect on human cancer cells[1].
Calomelanol B
OC=1C=C(C=C2C(=CC(C(C=12)=O)=C1C(C2=C(C=C(C=C2C(=C1)OC)C)O)=O)OC)C
5-hydroxy-2-(5-hydroxy-4-methoxy-7-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-7-methylnaphthalen-1-one
[3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
Methyl deacetylasperulosidate
Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1]. Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1].
Gardenin C
Gardenin C is a natural product found in Tamarix dioica and Murraya paniculata with data available.
3-Methoxycalycopterin
5,3-dihydroxy-3,6,7,8,4-pentamethoxyflavone
3,5-Dihydroxy-6,7,8,3,4-pentamethoxyflavone
5,4-Dihydroxy-6,7,8,3,5-pentamethoxyflavone
5,7-Dihydroxy-3,6,8,3,4-pentamethoxyflavone
2,2-Dihydroxy-3,4,5,6-tetramethoxy-3,4-methylenedioxychalcone
Tosufloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
pyrocatechol 1-O-beta-D-xylopyranosyl(1-6)-beta-D-glucopyranoside
4-Bromobenzoyl-7beta-2,6,6,8-Tetramethyltricyclo[6.2.1.01,5]undecan-7-ol-7beta
(3aR*,8aS*)-6-bromo-3a-[(2E)-3,7-dimethyl-2,6-octadienyl]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-7-ol
2,4-dihydroxy-5,6,7,8,5-pentamethoxyflavone|Agehoustin F
5,7-dihydroxy-2-(2,3,4,5,6-pentamethoxyphenyl)chromen-4-one
catechol O-beta-D-(6-O-beta-D-apiofuranosyl)glucopyranoside
(rel)-(1aR,1bR,5R,5aR,6S,6aR)-5-(beta-D-glucopyranosyloxy)-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-methyloxireno[3,4]cyclopenta[1,2-c]pyran-2-carboxylic acid methyl ester|(rel)-(1aR,1bR,5R,5aR,6S,6aR)-5-(beta-D-glucopyranosyloxy)-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-8-methyloxireno[3,4]cyclopenta[1,2-c]pyran-2-carboxylic acid methyl ester|lamiuamplexoside A
2-Hydroxy-6-methylbenzoic acid 4-(4-oxo-5,7-dihydroxy-4H-1-benzopyran-3-yl)phenyl ester
Integrastatin A
An organic heterotetracyclic compound that is 6H-6,12-epoxydibenzo[b,f]oxocin-11(12H)-one substituted by hydroxy groups at positions 4, 7 and 8, a hydroxymethyl group position 1, methyl groups at positions 6 and 12 and methoxy groups at positions 3 and 9. It is isolated as a racemate from Unidentified fungi (New mexico) and has been shown to exhibit inhibitory activity against HIV-1 integrase.
furan-2-carbonyl C-(6-O-beta-L-rhamnopyranosyl)-beta-glucopyranoside|scleropentaside B
3,4-dihydro-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2H-1-benzopyran-2-one|gnetumontanin G
5-hydroxy-8-methoxy-2-methyl-6-(alpha-D-ribofuranosyloxy)-4H-naphtho[2,3-b]pyran-4-one|6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yloxy]-5-hydroxy-8-methoxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one|rubrofusarin-6-O-alpha-D-ribofuranoside
8-acetyl-5-hydroxy-6-(3-methylbutanoyl)-4-phenyl-2H-furo[2,3-h]chromen-2-one
2,2-dihydroxy-3,4,5,6-tetramethoxy-4,5-methylenedioxychalcone
2-(3,5-dihydroxyphenyl)benzofuran-6-yl beta-D-glucopyranoside|moracin M 6 (beta-D-glucopyranoside)
3-C-beta-D-glucopyranosyl-1-hydroxy-7-methoxyxanthone
Theveridoside
Theviridoside is a natural product found in Lantana camara, Recordia reitzii, and other organisms with data available.
10-Hydroxy majoroside
methyloleoside
Oleoside 11-methyl ester is a natural product found in Jasminum nudiflorum, Picconia excelsa, and other organisms with data available.
methyl 5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
methyl 5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Deacetylasperuloside acid methyl ester
Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1]. Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1].
Secoxyloganin
Secoxyloganin, isolated from Lonicera japonica Thunb, inhibits the blood flow (BF) decrease. Secoxyloganin has allergy-preventive activity[1]. Secoxyloganin, isolated from Lonicera japonica Thunb, inhibits the blood flow (BF) decrease. Secoxyloganin has allergy-preventive activity[1].
C17H24O11_Cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-oxo-, methyl ester
C17H24O11_[2-(beta-D-Glucopyranosyloxy)-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
C17H24O11_Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-, 4-methyl ester, (1S,4aS,7S,7aS)
methyl (1S,4aR,7aR)-4a-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
2-[3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
CP-114271
CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3461; ORIGINAL_PRECURSOR_SCAN_NO 3459 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3459; ORIGINAL_PRECURSOR_SCAN_NO 3456 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3467 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3454; ORIGINAL_PRECURSOR_SCAN_NO 3452 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3530; ORIGINAL_PRECURSOR_SCAN_NO 3529 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3463; ORIGINAL_PRECURSOR_SCAN_NO 3461 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7200; ORIGINAL_PRECURSOR_SCAN_NO 7197 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7214; ORIGINAL_PRECURSOR_SCAN_NO 7212 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7239; ORIGINAL_PRECURSOR_SCAN_NO 7236 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7248; ORIGINAL_PRECURSOR_SCAN_NO 7245 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7237; ORIGINAL_PRECURSOR_SCAN_NO 7235 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7250; ORIGINAL_PRECURSOR_SCAN_NO 7248
methyl (1S,4aR,7aR)-4a-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate_major
5,7-dihydroxy-3,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Ala Cys Asp Pro
Ala Cys Pro Asp
Ala Asp Cys Pro
Ala Asp Pro Cys
Ala Pro Cys Asp
Ala Pro Asp Cys
Cys Ala Asp Pro
Cys Ala Pro Asp
Cys Asp Ala Pro
Cys Asp Pro Ala
Cys Glu Gly Pro
Cys Glu Pro Gly
Cys Gly Glu Pro
Cys Gly Pro Glu
Cys Pro Ala Asp
Cys Pro Asp Ala
Cys Pro Glu Gly
Cys Pro Gly Glu
Asp Ala Cys Pro
Asp Ala Pro Cys
Asp Cys Ala Pro
Asp Cys Pro Ala
Asp Pro Ala Cys
Asp Pro Cys Ala
Glu Cys Gly Pro
Glu Cys Pro Gly
Glu Gly Cys Pro
Glu Gly Pro Cys
Glu Pro Cys Gly
Glu Pro Gly Cys
Gly Cys Glu Pro
Gly Cys Pro Glu
Gly Glu Cys Pro
Gly Glu Pro Cys
Gly Pro Cys Glu
Gly Pro Glu Cys
Pro Ala Cys Asp
Pro Ala Asp Cys
Pro Cys Ala Asp
Pro Cys Asp Ala
Pro Cys Glu Gly
Pro Cys Gly Glu
Pro Asp Ala Cys
Pro Asp Cys Ala
Pro Glu Cys Gly
Pro Glu Gly Cys
Pro Gly Cys Glu
Pro Gly Glu Cys
Bentiromide
V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CK - Tests for pancreatic function D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents Bentiromide is a peptide that is broken down in the pancreas by chymotrypsin. The bentiromide test is an excellent means of confirming the diagnosis of pancreatic exocrine insufficiency by outpatient test of chymotrypsin function[1].
Glyceryl lactopalmitate
Mollicellin D
Cassiaside A
Oleoside 11-methyl ester
A secoiridoid glycoside that is [(2R,3E,4S)-3-ethylidene-2-hydroxy-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside. It has been isolated from several plant species including Olea europaea.
cis-Resveratrol 3-O-glucuronide
A stilbenol that is cis-resveratrol attached to a beta-D-glucopyranosiduronic acid residue at position 3 via a glycosidic linkage.
cis-Resveratrol 4'-O-glucuronide
trans-Resveratrol 3-O-glucuronide
trans-Resveratrol 4'-O-glucuronide
[2-(?-D-Glucopyranosyloxy)-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
2,2-[1,4-phenylenebis (carbonylimino)] bis-Benzoic acid
2-[(4-chloro-2-nitrophenyl)azo]-N-(4-ethoxyphenyl)-3-oxobutyramide
2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]ethanol
3-(METHOXYCARBONYL)-5-(((4-NITROBENZYL)OXY)CARBONYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID
bis[(2-hydroxyethyl)(2-hydroxyphenyl)ammonium] sulphate
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Ipragliflozin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BK - Sodium-glucose co-transporter 2 (sglt2) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D000077203 - Sodium-Glucose Transporter 2 Inhibitors C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor
9-fluorenylmethyl n-(5-aminopentyl)carbamate hydrobromide
Spectinomycin dihydrochloride
A hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea. C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Spectinomycin dihydrochloride is a broad-spectrum antibiotic and inhibits the growth of a variety of gram-positive and gram-negative organisms. Spectinomycin dihydrochloride acts by selectively targeting to the bacterial ribosome and interrupting protein synthesis. Spectinomycin dihydrochloride is also a noncompetitive inhibitor of td intron RNA with an Ki value of 7.2 mM[1]-[5].
Ruxolitinib phosphate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbamic acid phenylmethyl ester
Deuruxolitinib phosphate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor
1,3-Benzodioxolane-5-carboxylic acid 4-benzyloxy-3-methoxybenzylidene hydrazide
Acetic acid, (4-((2R)-2-(((2S)-2-hydroxy-2-(2-(trifluoromethyl)-4-thiazolyl)ethyl)amino)propyl)phenoxy)-
(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
N-(4-acetylphenyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide
{5-(5-Amino-1H-pyrrolo[3,2-B]pyridin-2-YL)-6-hydroxy-3-nitro-biphenyl-3-YL]-acetic acid
(3z)-1-[(6-Fluoro-4h-1,3-Benzodioxin-8-Yl)methyl]-4-Phenyl-1h-Indole-2,3-Dione 3-Oxime
N-Benzoyl-L-tyrosyl-p-aminobenzoic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Deacetyl asperulosidic acid methyl ester
Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1]. Methyl deacetylasperulosidate is an iridoid and shows purgative effects in mice and lowers the blood glucose level in normal mice[1].
Pallidol 3, 3'-diglucoside
N-[2-(4-Carboxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine
Methyl 4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
3-[(2E)-2-[(4-Benzoyloxy-3-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one
2-(2-Fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(1-piperidinyl)oxazole
1-(2-Fluorophenyl)-3-[[2-oxo-1-(phenylmethyl)-3-indolylidene]amino]thiourea
[4-[6,8-Dimethyl-2-(trifluoromethyl)-4-quinazolinyl]-1-piperazinyl]-(2-furanyl)methanone
2-[4-(4-Chlorophenyl)sulfonyl-1-piperazinyl]-1-ethylbenzimidazole
N-[(4-nitrophenyl)methylene]-2-(10H-phenothiazin-10-yl)acetohydrazide
5-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-N-(1-methoxypropan-2-yl)-6H-1,3,4-thiadiazin-2-amine
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
gammaGluCys(IAN)
An S-conjugate dipeptide consisting of L-gamma-glutamyl-L-cysteine in which the the cysteine side chain is substituted by a cyano(indol-3-yl)methyl group.
5-acetamido-2,6-anhydro-9-(4-carboxybutanamido)-3,5,9-trideoxy-D-glycero-D-galacto-non-2-enonic acid
1-pentyl-3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol
(2-fluorophenyl)-[(2S,3S)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
(2-fluorophenyl)-[(2S,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
(2-fluorophenyl)-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
2-mercapto-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-imidazo[1,2-a]pyridin-4-iumcarboxamide
4-[2-(3-Hydroxyphenyl)sulfanylethyl]-1,2-diphenylpyrazolidine-3,5-dione
(5E)-2-Amino-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
3,4,5-Trihydroxy-6-[2-(1-hydroxy-2-oxo-2-phenylethyl)phenoxy]oxane-2-carboxylic acid
(4S)-1-(4-hydroxyphenyl)-2-phenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione
5,7-Dihydroxy-3,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] butanoate
D-Glycero-D-gulo-Heptitol, 2,6-anhydro-, pentaacetate
Glucopyranose, 3-deoxy-3-(hydroxymethyl)-, pentaacetate, alpha-D-
sulfinpyrazone
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C26170 - Protective Agent > C921 - Uricosuric Agent
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Leramistat
Leramistat (HMC-C-01-A; MBS2320) is a mitochondrial complex 1 inhibitor, involving in cell metabolism immune metabolism regulation. Leramistat also inhibits ATP production in Thp1 human monocytes (IC50: 0.63 μM). Leramistat inhibits atopic dermatitis and other skin diseases autoimmune diseases, inflammatory diseases, cancer; and also inhibits osteoclast mediated disease[1][2][3].
(2r,6r)-11-bromo-5-methyl-2,9-bis(3-methylbut-2-en-1-yl)-7-oxa-5-azatricyclo[6.4.0.0²,⁶]dodeca-1(8),9,11-trien-12-amine
methyl 8-(2,4-dihydroxy-6-methylbenzoyloxy)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromene-3-carboxylate
1',5-dihydroxy-6'-methoxy-3',7-dimethyl-[2,2'-binaphthalene]-1,4,5',8'-tetrone
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
5,5'-dihydroxy-4,4'-dimethoxy-7,7'-dimethyl-[2,2'-binaphthalenylidene]-1,1'-dione
methyl (1s,4ar,5r,7ar)-5-hydroxy-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxychromen-4-one
methyl (1s,4as,8r,8as)-8-methyl-6-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,8h,8ah-pyrano[3,4-c]pyran-4-carboxylate
methyl (1s,4ar,7r,7as)-7-hydroxy-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
methyl 3,5-dimethoxy-2-{4-methoxy-5-oxo-3-[(1e)-prop-1-en-1-yl]-2,7-dioxabicyclo[4.1.0]hept-3-ene-6-carbonyl}benzoate
methyl (1s,4as,7r,7ar)-7-(hydroxymethyl)-5-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
6-hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
methyl (6r,12r,14r)-4,6,14-trihydroxy-2,12,13,13-tetramethyl-8,15-dioxo-7,11-dioxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1,3,5(16),9-tetraene-6-carboxylate
2-[3-hydroxy-5-(6-hydroxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,2s,3r,4r,5r,6s)-2,3,4,5-tetrakis(acetyloxy)-6-methoxycyclohexyl acetate
16,17-dimethoxy-21-methylidene-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),3,8,10,14,16,18-heptaen-12-one
(2s)-2,4,5,7,9-pentahydroxy-8-methoxy-6-methyl-2-(2-methyl-3-oxobutan-2-yl)phenalene-1,3-dione
1-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-9-one
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
7-bromo-1-methyl-3a,5-bis(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol
[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetic acid
(2s,3r,4s,5s,6r)-2-(2-hydroxyphenoxy)-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
1',4-dihydroxy-6'-methoxy-2,3'-dimethyl-[1,2'-binaphthalene]-5,5',8,8'-tetrone
[1R-(1a,4aa,8a,8aa)]-8-(b-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, methyl ester
{"Ingredient_id": "HBIN003016","Ingredient_name": "[1R-(1a,4aa,8a,8aa)]-8-(b-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, methyl ester","Alias": "NA","Ingredient_formula": "C17H24O11","Ingredient_Smile": "NA","Ingredient_weight": "404.37","OB_score": "4.187106429","CAS_id": "115729-53-8","SymMap_id": "SMIT06952","TCMID_id": "NA","TCMSP_id": "MOL005152","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[1R-(1a,4aa,8a,8aa)]-8-(b-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, methyl ester_qt
{"Ingredient_id": "HBIN003017","Ingredient_name": "[1R-(1a,4aa,8a,8aa)]-8-(b-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, methyl ester_qt","Alias": "NA","Ingredient_formula": "C17H24O11","Ingredient_Smile": "NA","Ingredient_weight": "404.37","OB_score": "65.31305526","CAS_id": "115729-53-8","SymMap_id": "SMIT06953","TCMID_id": "NA","TCMSP_id": "MOL005153","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3',5'-dihydroxy-3,4',5',6,7-pentamethoxy flavone
{"Ingredient_id": "HBIN007615","Ingredient_name": "3',5'-dihydroxy-3,4',5',6,7-pentamethoxy flavone","Alias": "NA","Ingredient_formula": "C20H20O9","Ingredient_Smile": "COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7-dihydroxy-2',3',4',5 ',6'-pentamethoxyflavone
{"Ingredient_id": "HBIN011254","Ingredient_name": "5,7-dihydroxy-2',3',4',5 ',6'-pentamethoxyflavone","Alias": "NA","Ingredient_formula": "C20H20O9","Ingredient_Smile": "COC1=C(C(=C(C(=C1OC)OC)OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6071","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methoxygeniposidic acid
{"Ingredient_id": "HBIN011755","Ingredient_name": "5-methoxygeniposidic acid","Alias": "NA","Ingredient_formula": "C17H24O11","Ingredient_Smile": "NA","Ingredient_weight": "404.37","OB_score": "NA","CAS_id": "134515-70-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7659","PubChem_id": "NA","DrugBank_id": "NA"}
6-methoxyginiposidicacid
{"Ingredient_id": "HBIN012524","Ingredient_name": "6-methoxyginiposidicacid","Alias": "NA","Ingredient_formula": "C17H24O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13933","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,8-Dehydropenstemoside
{"Ingredient_id": "HBIN012958","Ingredient_name": "7,8-Dehydropenstemoside","Alias": "7, 8-dehydropenstemoside; CHEMBL517923; 5,9-epi-7,8-didehydropenstemoside; 7,8-dehydropenstemoside","Ingredient_formula": "C17H24O11","Ingredient_Smile": "CC1=CC(C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O","Ingredient_weight": "404.4 g/mol","OB_score": "3.408230825","CAS_id": "NA","SymMap_id": "SMIT01148","TCMID_id": "35398;4958","TCMSP_id": "MOL005496","TCM_ID_id": "NA","PubChem_id": "11338644","DrugBank_id": "NA"}
7β,8β-epoxy-8α-dihydrogeniposide
{"Ingredient_id": "HBIN013089","Ingredient_name": "7\u03b2,8\u03b2-epoxy-8\u03b1-dihydrogeniposide","Alias": "NA","Ingredient_formula": "C17H24O11","Ingredient_Smile": "COC(=O)C1=COC(C2C1CC3C2(O3)CO)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15278","TCMID_id": "7069","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-acetylclandonoside
{"Ingredient_id": "HBIN013840","Ingredient_name": "8-o-acetylclandonoside","Alias": "NA","Ingredient_formula": "C17H24O11","Ingredient_Smile": "CC(=O)OC1(CC(C2(C1C(OC=C2)OC3C(C(=O)C(C(O3)CO)O)O)O)O)C","Ingredient_weight": "404.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100982868","DrugBank_id": "NA"}
