Exact Mass: 430.1212
Exact Mass Matches: 430.1212
Found 500 metabolites which its exact mass value is equals to given mass value 430.1212
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzofenap
Benzofenap is found in cereals and cereal products. Benzofenap is a herbicide used on rice. Herbicide used on rice. Benzofenap is found in cereals and cereal products.
Ononin
Widely distributed in the Leguminosae subfamily Papilionoideae, e.g. in Medicago sativa (alfalfa) and Trifolium subspecies Formononetin 7-glucoside is found in chickpea, soy bean, and pulses. Ononin is found in chickpea. Ononin is widely distributed in the Leguminosae subfamily Papilionoideae, e.g. in Medicago sativa (alfalfa) and Trifolium species. Acquisition and generation of the data is financially supported in part by CREST/JST. IPB_RECORD: 381; CONFIDENCE confident structure Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil.
Stypandrol
Sesartemin
Isolated from roots of Artemisia absinthium (wormwood). Diasesartemin is found in alcoholic beverages and herbs and spices. Diasesartemin is found in alcoholic beverages. Diasesartemin is isolated from roots of Artemisia absinthium (wormwood).
Bispyribac
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4218; ORIGINAL_PRECURSOR_SCAN_NO 4215 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4230; ORIGINAL_PRECURSOR_SCAN_NO 4228 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4222; ORIGINAL_PRECURSOR_SCAN_NO 4220 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8980; ORIGINAL_PRECURSOR_SCAN_NO 8978 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4228; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9013; ORIGINAL_PRECURSOR_SCAN_NO 9011 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8981; ORIGINAL_PRECURSOR_SCAN_NO 8979 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4239; ORIGINAL_PRECURSOR_SCAN_NO 4235 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4236; ORIGINAL_PRECURSOR_SCAN_NO 4234 INTERNAL_ID 162; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9005; ORIGINAL_PRECURSOR_SCAN_NO 9003 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9005; ORIGINAL_PRECURSOR_SCAN_NO 9003 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9025; ORIGINAL_PRECURSOR_SCAN_NO 9024 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9031; ORIGINAL_PRECURSOR_SCAN_NO 9028
Coumestrin
Constituent of Glycine max (soybean). Coumestrin is found in alfalfa, soy bean, and pulses. Coumestrin is found in alfalfa. Coumestrin is a constituent of Glycine max (soybean).
5-hydroxy-7-methoxy-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Cubebinone
Cubebinone is found in herbs and spices. Cubebinone is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Cubebinone is found in herbs and spices.
Daidzein 7-O-glucuronide
Daidzein 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3,4,5-trihydroxy-6-[(7-hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy]oxane-2-carboxylic acid
8-Acetoxy-4'-methoxypinoresinol
Constituent of Olea europaea (olive). 8-Acetoxy-4-methoxypinoresinol is found in many foods, some of which are olive, herbs and spices, pomes, and fats and oils. 8-Acetoxy-4-methoxypinoresinol is found in fats and oils. 8-Acetoxy-4-methoxypinoresinol is a constituent of Olea europaea (olive).
5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside
5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside is found in fruits. 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside is a constituent of the seeds of Trichosanthes anguina (snake gourd). Constituent of the seeds of Trichosanthes anguina (snake gourd). 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside is found in fruits.
2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-3,4-dihydroxy-6-methyl-3,4-dihydro-2H-pyran-5(6H)-one
Ketoprofen glucuronide
Ketoprofen glucuronide is a natural human metabolite of ketoprofen generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Ketoprofen glucuronide is a natural human metabolite of ketoprofen generated in the liver by UDP glucuonyltransferase.
Daidzein 4'-O-glucuronide
Daidzein 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
(3S,5R,6S)-6-[2-(3-Benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Fostriecin
Formononetin-B-D-glucuronide sodium salt
Diethyl 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
Derhamnosylmaysin
Derhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Derhamnosylmaysin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Derhamnosylmaysin can be found in corn, which makes derhamnosylmaysin a potential biomarker for the consumption of this food product.
Chrysin 7-glucuronide
Chrysin-7-O-glucuronide is a member of flavonoids and a glucosiduronic acid. Chrysin-7-O-glucuronide is a natural product found in Scutellaria indica, Scutellaria immaculata, and other organisms with data available. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1]. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1].
Ononin
Ononin is a 4-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a monosaccharide derivative, a member of 4-methoxyisoflavones and a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It is functionally related to a formononetin. Ononin is a natural product found in Cicer chorassanicum, Thermopsis lanceolata, and other organisms with data available. See also: Astragalus propinquus root (part of). A 4-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil.
Daidzein 7-O-beta-D-glucoside 4-O-methylate
β-acetoxyisovalerylalkannin
Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)- is a natural product found in Alkanna tinctoria with data available. Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2]. Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2].
Torosaflavone B
Alvaradoin F
A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a (1-O-acetyl)-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Acacetin 7-O-alpha-L-rhamnopyranoside
Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)
[1S-(1alpha,4aalpha,7aalpha)]-7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Alternanthin
3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
4-Hydroxyacetophenone 4-O-(6-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside
fostriecin
A structurally unique, naturally-occurring phosphate monoester isolated from the soil bacterium Streptomyces pulveraceus. It inhibits DNA topoisomerase II as well as several protein phosphatase including PP2A and PPA4, and exhibits potent antitumor activity against several cancer cell lines.
4-Methoxypuerarin
4'-Methoxypuerarin (4'-O-Methylpuerarin), an isoflavone diglycoside, is isolated from Pueraria lobata[1]. 4'-Methoxypuerarin (4'-O-Methylpuerarin), an isoflavone diglycoside, is isolated from Pueraria lobata[1].
3,7-Dihydroxy-8-methylflavone 7-rhamnoside
8,9-Methylenedioxypterocarpan 3-O-alpha-L-rhamnoside
Aliarin 4-methyl ether
3,5,8,3-Tetramethoxy-6,7:4,5-bis(methylenedioxy)flavone
Coumestrin
ononin
Origin: Plant; Formula(Parent): C22H22O9; Bottle Name:Ononin; PRIME Parent Name:Formononetin-7-O-glucoside; PRIME in-house No.:S0305, Pyrans Annotation level-1 Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil.
1,5-Anhydro-2-O-(6-O-benzoyl-α-L-galactopyranosyl)-D-glucitol
rel-(7S,8R,1S,5S,6S)-6-Acetoxy-3-hydroxy-3,5-dimethoxy-4,5-methylenedioxy-4-oxo-Delta-1,3,5,2,8-8.1,7.5-neolignan
7-beta-D-Glucopyranosyloxy-2-(4-methoxy-phenyl)-chromen-4-on|7-beta-D-glucopyranosyloxy-2-(4-methoxy-phenyl)-chromen-4-one|tilianin
8-Me ether,3-O-alpha-L-rhamnopyranoside-1,3,8-Trihydroxy-2-methylanthraquinone
5-methoxy-8-(4-methoxy-6-oxo-6H-pyran-2-yl)-1,7-diphenyl-2-oxa-bicyclo[4.2.0]oct-4-en-3-one
1-(3-Methylbutanoyl),1-(3-methyl-2-butenoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
2-({6-O-[(4-hydroxy-3-methoxyphenyl)carbonyl]-beta-D-glucopyranosyl}oxy)-2-methylbutanoic acid
2,3,4,7,8-Penta-Me ether,5-Ac-2,3,4,5,7,8-Hexahydroxyflavon
cynaropicrin-3-O-(4-hydroxymethacrylate)|cynaropicrin-3-O-<4-hydroxymethacrylate>
5-Senecioyloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene
1-(3-Methylbutanoyl),1-(2-methyl-2E-butenoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
Acetic acid 2,3-bis(3-methoxy-4-acetoxyphenyl)propyl ester
(+)-cyanobacterin|4-hydroxy-4-isopropyl-5-[(4-methoxyphenyl)methylene]-3-[(3-chloro-4,5-methylenedioxyphenyl)methyl]-dihydro-2(3H)-furanone|cyanobacterin
5,7-dihydroxy-3-(3-hydroxymethylbutyl)-3,6,4-trimethoxyflavone
3-O-benzoylpolygolitosyl-(2->1)-alpha-galactose|polygalatenoside B
2,3-cis-2-(hydroxymethyl)-3-{bis[5-methoxy-3,4-(methylenedioxy)phenyl]methyl}butyrolactone
(1R,3S,5R,6R,7R,8S)-3-acetoxy-13,14,15-trimethylene-12-oxododecahydroazuleno[6,7-beta]furan-8-yl 17-(acetoxymethyl)acrylate|cynaropicrin B diacetate
3,4,8,9,10,11-Hexamethoxy-5,7-dihydro[2]benzopyrano[4,3-b][1]benzopyran-7-one
methyl rel-(1R,2S,3S)-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)cyclobutanecarboxylate
9-methoxy-7-methoxymethyl-10-alpha-L-rhamnopyranosyloxy-5H-dibenzo[a,c][7]annulen-3-ol|subavenoside F
7-beta-D-glucopyranosyloxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulen-10-ol|subavenoside A
[(3-hydroxy-3-methylglutaryl)methyl]phenyl-4-O-beta-D-glucopyranoside
10-beta-D-glucopyranosyloxy-7-hydroxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulene|subavenoside D
beta-D-galactopyranosyl-(1->4)-3,6-anhydro-L-galactose diethyl dithioacetal|O4-beta-D-Galactopyranosyl-3,6-anhydro-L-galactose-diaethyldithioacetal|O4-beta-D-galactopyranosyl-3,6-anhydro-L-galactose-diethyldithioacetal
5-Tigloyloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene
1D-tetra-O-acetyl-1,3-bis-acetylamino-1,3-dideoxy-allo-inositol|Hexacetylstreptamin
Demecycline
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
chrysin 7-glucuronide|chrysin 7-O-beta-glucuronide
acetophenone-2-O-[beta-D-apiofuranosyl-1->6-O-beta-D-glucopyranoside]
O2-Me-5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol
2-<(2H-1,3-Benzodioxol-5-yl)methyl>-3-<(3,4-dimethoxyphenyl)methyl>bernsteinsaeuredimethylester
2,3-dinor Fluprostenol
Chrysin-7-O-glucuronide
Chrysin-7-O-glucuronide is a member of flavonoids and a glucosiduronic acid. Chrysin-7-O-glucuronide is a natural product found in Scutellaria indica, Scutellaria immaculata, and other organisms with data available. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1]. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1].
4-methyloxy-Daidzin
Regaloside F
Regaloside F is a natural product found in Lilium auratum and Lilium mackliniae with data available.
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
C19H26O11_Ethanone, 1-[4-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl]
C19H26O11_1,5-Anhydro-2-O-(6-O-benzoyl-alpha-D-galactopyranosyl)-D-glucitol
C19H26O11_5-{[4-(beta-D-Glucopyranosyloxy)benzyl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
MK-274
CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4920; ORIGINAL_PRECURSOR_SCAN_NO 4919 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4855; ORIGINAL_PRECURSOR_SCAN_NO 4854 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4943; ORIGINAL_PRECURSOR_SCAN_NO 4942 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4866; ORIGINAL_PRECURSOR_SCAN_NO 4864 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4442 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4865; ORIGINAL_PRECURSOR_SCAN_NO 4862 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9221; ORIGINAL_PRECURSOR_SCAN_NO 9219 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9249 ORIGINAL_PRECURSOR_SCAN_NO 9265; CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9267 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9267; ORIGINAL_PRECURSOR_SCAN_NO 9265 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9352 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9352 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9301; ORIGINAL_PRECURSOR_SCAN_NO 9299 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9176; ORIGINAL_PRECURSOR_SCAN_NO 9173
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate_8.5\\%
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate_major
Cys Asp Gly His
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Cubebinone
8-Acetoxy-4'-methoxypinoresinol
Daidzein 4'-O-glucuronide
Daidzein 7-O-glucuronide
6-iodo-8Z,11Z,14Z-eicosatrien-5-olide
2-[(Azidoacetyl)amino]-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate
Hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl-
(E/Z)-2-(2-Benzyloxycarbonylamino-4-thiazolyl)-4-(3-methyl-2-butenyloxycarbonyl)-2-butenoic acid
6-fluoro-1-(4-fluorophenyl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Ziprasidone Amino Acid
Ziprasidone amino acid (Ziprasidone Impurity C) is an impurity of Ziprasidone. Ziprasidone is a combined 5-HT (serotonin) and dopamine receptor antagonist. Ziprasidone exhibits potent effects of antipsychotic activity [1].
2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-butenyl) ester
5-TAMRA
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
2-O-(O-NITROPHENYL)-ALPHA-D-N-ACETYLNEURAMINIC ACID
2-O-(P-NITROPHENYL)-ALPHA-D-N-ACETYLNEURAMINIC ACID
3,5-Dichloro-N-({1-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl] -4-fluoro-4-piperidinyl}methyl)benzamide
ethyl 1-cyclopropyl-6-fluoro-7-((4-isopropylthiazol-2-yl)methoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate
4-[4-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
ARS-1630
ARS-1323, the racemate of ARS-1620, is a novel inhibitor of mutant K-ras G12C extracted from patent WO 2015054572 A1. ARS-1620 is an atropisomeric selective KRASG12C inhibitor with desirable pharmacokinetics. ARS-1630, a less active enantiomer of ARS-1620, is a novel inhibitor of mutant K-ras G12C extracted from patent WO 2015054572 A1.
2-Methoxy-5-[2-[[2-(2-methoxyphenoxy)ethyl]amino]propyl]benzenesulfonamide monohydrochloride
Phenyl 6-deoxy-2-O-(phenylmethyl)-1-thio-L-galactopyranoside diacetate
Dantrolene Related Compound A (50 mg) (5-(4-nitrophenyl)-2-furaldehyde azine)
6-O-[4,6-O-[(R)-Phenylmethylene]-alpha-D-glucopyranosyl]-D-glucose
(S)-3,5-DICHLORO-N-((1-((2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL)-4-FLUOROPIPERIDIN-4-YL)METHYL)BENZAMIDE
Roniciclib (Synonyms: BAY 1000394)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Pentizidone sodium
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Episesartemin A
Isolated from roots of Artemisia absinthium (wormwood). Episesartemin A is found in alcoholic beverages and herbs and spices.
4-[(5-Naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate
3-Methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl ester
3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)biphenyl-3-yl]-1H-1,2,4-triazole-5-carboxamide
N-(5-Chloro-1,3-benzodioxol-4-YL)-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
(N-{4-[(Ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
(3z)-1-[(6-Fluoro-4h-1,3-Benzodioxin-8-Yl)methyl]-4-[(E)-2-Phenylethenyl]-1h-Indole-2,3-Dione 3-Oxime
N-[1-(5-Bromo-2,3-Dimethoxybenzyl)piperidin-4-Yl]-4-Sulfanylbutanamide
1-[4-[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]ethanone
Formononetin-B-D-glucuronide sodium salt
(3S,5R,6S)-6-[2-(3-Benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(1E,7E,9E,11E)-3,6,13-trihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate
6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
alvaradoin E
A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a (1-O-acetyl)-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4,5:4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate
5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
2-Methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one
2-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1H-indazol-6-yl)acetamide
N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(2-ethoxyphenoxy)-1-oxoethyl]acetohydrazide
Ethyl 4-[[3-(2-fluorophenyl)-1-methylthieno[2,3-c]pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-pyridinecarboxamide
7-Formyl-12,14-dimethyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-2-yl acetate
(1S,2R)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid
2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-(3,4-Dichlorophenyl)-2-[2-imino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazolyl]ethanone
4-[2-[(5-Chloro-2-phenylmethoxyphenyl)methylamino]ethyl]benzenesulfonamide
2-[(2S,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-[(1S,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1R,2aS,8bS)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1,5-anhydro-2-O-(6-O-benzoyl-alpha-L-galactopyranosyl)-D-glucitol
2-[(2S,3R,6S)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
2-[(2R,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
2-[(1R,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-[(1R,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1S,2aS,8bS)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
6-(2-Benzoyloxy-5-prop-2-enylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2R)-3-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanoic acid
6-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(2R,3R,4R)-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxypentanoic acid
Syn-15-tert-butyl-18-methoxy-2,11-dithia-5,6,7,9-tetrafluoro(3.3)metacyclophane
2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glyceric acid
A glycoside consisting of D-glyceric acid having an alpha-D-mannosyl-(1->2)-alpha-D-glucosyl residue attached at position 2 via a glycosidic linkage.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid
5-hydroxy-6-methoxy-3-phenyl-7-{[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
3-(4-methoxyphenyl)-7-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
methyl 18-(acetyloxy)-4-methyl-8-oxo-12-(prop-1-en-2-yl)-3,7,17-trioxatetracyclo[12.2.1.1⁶,⁹.0²,⁴]octadeca-1(16),9,14-triene-15-carboxylate
methyl (5r,6r,7r)-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxole-6-carboxylate
(1s,9r)-5-(1h-indol-3-yl)-3,4,6-trimethoxy-8-oxa-10-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁶]hexadeca-2(7),3,5,11,13,15-hexaen-1-ol
6-[(1s,3s,4r,5s)-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)-2,6-dioxabicyclo[3.1.0]hexan-1-yl]-4-methoxy-2h-1,3-benzodioxole
5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-6a-methyl-6,8-dioxofuro[2,3-h]isochromen-9-yl acetate
6-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
3-[1-(acetyloxy)-3-methylbutyl]-6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoic acid
methyl 2'-(acetyloxy)-5-(furan-3-yl)-6'-methyl-2-oxo-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-8'(12')-ene-1'-carboxylate
(2r,3r,4s,5s)-4-hydroxy-2-(hydroxymethyl)-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl benzoate
7-hydroxy-2-(4-hydroxyphenyl)-3-methyl-5-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl benzoate
n-(3-{[2-amino-6-(4-ethenylphenoxycarbonyl)-3-hydroxyphenyl]sulfanyl}-1-methoxy-1-oxopropan-2-yl)ethanimidic acid
1-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3s,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)ethanone
(3ar,4s,6ar,8s,9ar,9br)-8-(acetyloxy)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-[(acetyloxy)methyl]prop-2-enoate
(2s)-2,3-bis[4-(acetyloxy)-3-methoxyphenyl]propyl acetate
5,13,17,19-tetrahydroxy-7-(2-oxopropyl)pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4,6,8,13,16,18,20-nonaene-15,22-dione
(2r,3r,4s,5s,6r)-2-({4-hydroxy-5-methoxytricyclo[9.4.0.0²,⁷]pentadeca-1(15),2(7),3,5,8,11,13-heptaen-8-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
6,8-dihydroxy-3-(4-hydroxyphenyl)-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4h-naphthalen-1-one
3-[(7r,8as)-7-(2,4-dihydroxy-6-methylbenzoyloxy)-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-3-yl]prop-2-enoic acid
(2s)-2-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1-{4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethanone
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
(3s,5r,6s,7s,8r,10r,12s)-5-(hydroxymethyl)-15,17-dimethyl-12-phenyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxypropanoic acid
4-methoxy-6-[(1s,4s)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole
3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone
6-[(1r,3ar,4r,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2h-1,3-benzodioxole
10-o-acetylgeniposide
{"Ingredient_id": "HBIN000177","Ingredient_name": "10-o-acetylgeniposide","Alias": "10-O-Acetylgeniposide; AC1O44LE; CHEMBL1078435; 10-Acetylgenipiside; methyl (1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","Ingredient_formula": "C19H26O11","Ingredient_Smile": "CC(=O)OCC1=CCC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "430.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14139","TCMID_id": "397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6324916","DrugBank_id": "NA"}
(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-β-d-(3-o-potassium sulfo)-glucopyrano-side
{"Ingredient_id": "HBIN009684","Ingredient_name": "(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-\u03b2-d-(3-o-potassium sulfo)-glucopyrano-side","Alias": "NA","Ingredient_formula": "C16H30O11S","Ingredient_Smile": "CC(C)(C(CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5896","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxyacetophenone 4-o-(6-o-β-d-apio-furanosyl)-β-d-glucopyranoside
{"Ingredient_id": "HBIN010503","Ingredient_name": "4-hydroxyacetophenone 4-o-(6-o-\u03b2-d-apio-furanosyl)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H26O11","Ingredient_Smile": "CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9749","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(3''-benzoyloxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)-benzofuran
{"Ingredient_id": "HBIN011004","Ingredient_name": "5-(3''-benzoyloxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)-benzofuran","Alias": "NA","Ingredient_formula": "C26H22O6","Ingredient_Smile": "COC1=C2C(=CC(=C1)CCCOC(=O)C3=CC=CC=C3)C=C(O2)C4=CC5=C(C=C4)OCO5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2264","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-acetoxyisovalerylalkannin
{"Ingredient_id": "HBIN015330","Ingredient_name": "\u03b1-acetoxyisovalerylalkannin","Alias": "NA","Ingredient_formula": "C23H26O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14127","TCMID_id": "244","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta-acetoxyisovalerylshikonin
{"Ingredient_id": "HBIN017951","Ingredient_name": "beta-acetoxyisovalerylshikonin","Alias": "NA","Ingredient_formula": "C23H26O8","Ingredient_Smile": "CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)OC(=O)C)C","Ingredient_weight": "430.4 g/mol","OB_score": "5.029629563","CAS_id": "NA","SymMap_id": "SMIT09117","TCMID_id": "NA","TCMSP_id": "MOL007738","TCM_ID_id": "NA","PubChem_id": "69295815","DrugBank_id": "NA"}