Exact Mass: 408.1045346
Exact Mass Matches: 408.1045346
Found 500 metabolites which its exact mass value is equals to given mass value 408.1045346,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Marmesin galactoside
Nodakenin is a furanocoumarin. Nodakenin is a natural product found in Hansenia forbesii, Rhodiola rosea, and other organisms with data available. Marmesin galactoside is found in herbs and spices. Marmesin galactoside is a constituent of Murraya koenigii (curry leaf tree). Constituent of Murraya koenigii (curry leaf tree). Marmesin galactoside is found in herbs and spices. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2]. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2].
Ginkgolide A
Ginkgolide A is found in fats and oils. Ginkgolide A is a bitter principle from Ginkgo biloba (ginkgo). Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
Khelloside
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
11beta-Hydroxy-12alpha-bromoprogesterone
Trifloxystrobin
C20H19F3N2O4 (408.12968500000005)
A carboxylic ester that is the methyl ester of (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate. A foliar applied fungicide for cereals which is particularly active against Ascomycetes, Deuteromycetes and Oomycetes D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 1112; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9856; ORIGINAL_PRECURSOR_SCAN_NO 9854 CONFIDENCE standard compound; INTERNAL_ID 1112; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9876; ORIGINAL_PRECURSOR_SCAN_NO 9874 CONFIDENCE standard compound; INTERNAL_ID 1112; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9867; ORIGINAL_PRECURSOR_SCAN_NO 9866 CONFIDENCE standard compound; INTERNAL_ID 1112; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9910; ORIGINAL_PRECURSOR_SCAN_NO 9909 CONFIDENCE standard compound; INTERNAL_ID 1112; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9929; ORIGINAL_PRECURSOR_SCAN_NO 9928 CONFIDENCE standard compound; INTERNAL_ID 1112; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9927; ORIGINAL_PRECURSOR_SCAN_NO 9925 CONFIDENCE standard compound; INTERNAL_ID 4012 CONFIDENCE standard compound; INTERNAL_ID 3714
dapagliflozin
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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C98083 - SGLT2 Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Wybutoxine
Wybutoxine is found in animal foods. Wybutoxine is a constituent of phenylalanine tRNA of beef, chicken, calf and rat livers. Constituent of phenylalanine tRNA of beef, chicken, calf and rat livers. Wybutoxine is found in animal foods.
Torachrysone 8-glucoside
Torachrysone 8-glucoside is found in garden rhubarb. Torachrysone 8-glucoside is isolated from Rhei rhizoma. Isolated from Rhei rhizoma. Torachrysone 8-glucoside is found in green vegetables and garden rhubarb. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1]. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1].
4-Methoxybenzenepropanol 1-(2-sulfoglucoside)
4-Methoxybenzenepropanol 1-(2-sulfoglucoside) is found in herbs and spices. 4-Methoxybenzenepropanol 1-(2-sulfoglucoside) is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 4-Methoxybenzenepropanol 1-(2-sulfoglucoside) is found in herbs and spices.
2-Ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid
(2R,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Arteflene
C19H18F6O3 (408.11600699999997)
Ethyl biscoumacetate
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Pasakbumin-A
Eurycomanone is a natural product found in Eurycoma longifolia with data available. Eurycomanone could increases spermatogenesis by inhibiting the activity of phosphodiesterase and aromatase in steroidogenesis.
Omapatrilat
riboflavin thiamine
C17H20N4O6S (408.11035000000004)
3-[2-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Tinnevellin glucoside
Tinnevellin glucoside is a natural product found in Senna alexandrina with data available.
Eurycomanone
A quassinoid isolated from Eurycoma longifolia and has been shown to exhibit antineoplastic and antimalarial activties. Eurycomanone is a natural product found in Eurycoma longifolia with data available. Eurycomanone could increases spermatogenesis by inhibiting the activity of phosphodiesterase and aromatase in steroidogenesis.
ginkgolide A
Bitter principle from Ginkgo biloba (ginkgo). Ginkgolide A is found in ginkgo nuts and fats and oils. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.715 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.712 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.714 Ginkgolide A is a highly active PAF antagonist cage molecule that is isolated from the leaves of the Ginkgo biloba tree. Shows potential in a wide variety of inflammatory and immunological disorders. ginkgolide-A is a natural product found in Ginkgo biloba and Machilus wangchiana with data available. See also: Ginkgo (part of). Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
Ginkgolide A
9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3,2:3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl- is a diterpene lactone. Ginkgolide A is a natural product found in Ginkgo biloba with data available. Ginkgolide A is found in fats and oils. Ginkgolide A is a bitter principle from Ginkgo biloba (ginkgo). Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
Tinnevellin
Tinnevellin glucoside is a natural product found in Senna alexandrina with data available.
Dehydroamorphigenin
3,5,7,4-Tetrahydroxy-3-(5-formyl-2-hydroxyphenyl)flavanone
Rhinacanthin D
A carboxylic ester obtained by the formal condensation of 2-hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)naphthalene-1,4-dione with 1,3-benzodioxole-5-carboxylic acid. Isolated from Rhinacanthus nasutus, it exhibits antiviral activity.
Villosol
10,11-Dimethoxy-3,3-dimethyl-3H-pyrano[2,3:7,8][1]benzopyrano[3,2-b][1,5]benzodioxepin-7(14H)-one
Amorpholone
5,3,4-Trihydroxybibenzyl 2-O-beta-D-glucopyranoside
Torosaflavone C
Dehydrotoxicarol
Isorobustin 4-methyl ether
3,6-Dimethoxy-6,6-dimethyl-3,4-methylenedioxypyrano[2,3:7,8]flavone
Ferrugone
Ichthynone
3,5,7-Trihydroxy-2,3-dihydro-2-(2,2-dihydroxy-5-formyl[1,1-biphenyl]-5-yl)-4H-1-benzopyran-4-one
isoarnottinin 4-glucoside|isoarnottinin-4-O-beta-D-glucoside
10-Desoxy-adifolin|9-hydroxy-8-methyl-10-oxa-1,7b-diaza-8a,9,12a,13-tetrahydro-benzo[5,6]cyclohepta[1,2,3-jk]fluorene-2,12-dicarboxylic acid 12-methyl ester
3,5-dihydroxy-2-[(4-hydroxyphenyl)carbonyl]phenyl beta-D-glucopyranoside|iriflophenone 2-O-beta-D-glucopyranoside|iriflophenone 2-O-beta-glucopyranoside
7-(4-but-1-enyl-2,5-dioxo-2,5-dihydro-furan-3-ylmethyl)-4,5-dicarboxy-non-5-enoic acid
6-O-(4-Hydroxy-2-methylene-butyryl)-1-O-trans-cinnamoyl-??-D-glucopyranose|Spirarin
lindleyanin|rel-(1R,2R.2aS.9bR)-1,2,2a,9b-tetrahydro-9-metoxy-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3H-cyclobuta[c]furo[3,2-g][1]benzopyran-3-one
3,5,7,4,5-pentahydroxy-6-[1-(p-hydroxy-phenyl)ethyl]flavanone
4-O-beta-D-glucopyranosyl-2,3,6-trihydroxybenzophenone|prunifloroside C
9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one
2-C-beta-D-xylopyranosyl-1,3,4,6,7-pentahydroxyxanthone|aquilarixanthone
2,4,6,3-tetrahydroxybenzophenone 4-O-beta-D-glucopyranoside|3,5-dihydroxy-4-(3-hydroxybenzoyl)phenyl beta-D-glucopyranoside|rhodanthenone A
2,4,3-trihydroxybenzophenone-6-O-beta-glucopyranoside|3,4,6-trihydroxy-benzophenone-2-O-beta-D-glucopyranoside
3,5,4-trihydroxy-4-methoxy-2-O-beta-D-xylosylbenzophenone
(E)-4-(3-(4-hydroxy-3-methoxyphenyl)acryloyloxy)-2-(methoxycarbonyl)-7-oxooxepane-4-carboxylic acid|paederoxepane B
2-methyl pyromeconic acid 3-O-beta-D-glucopyranoside-6-(O-4-hydroxybenzoate)
2.3,4,5,6-pentahydroxybenzophenone-2-O-alpha-L-rhamnopyranoside|petiolin F
(3S,4R)-4,2??5?-trihydroxy-6,7,8,3?,4?-pentamethoxyisoflavan|abruquinone G
3,3,10,10-Tetramethyl-5,8,13-trihydroxy-10H-dipyrano[3,2-a:2,3-i]xanthene-14(3H)-one
6-O-(trans-cinnamoyl)-1-O-(3-methylfuran-2-on-4-yl)-beta-D-glucopyranose|6-O-(trans-Cinnamoyl)-1-O-(4-hydroxy-3-methylfuran-2-one)-??-D-glucopyranose
4-O-beta-D-glucopyranosyl-2,6,4-trihydroxybenzophenone|4-O-??-D-Glucopyranosyl-2,6,4-trihydroxybenzophenone|iriflophenone 4-O-beta-D-glucopyranoside
5,7,4-trihydroxy-6,8,3,6-tetramethoxy-2,3-dihydroflavonol
3-chloro-9beta,15-dihydroxy-8beta-tiglinoyloxy-dehydrleucodin
C20H21ClO7 (408.09757460000003)
alpha-Hydroxy-3,5-dimethoxy-4-[alpha-(hydroxymethyl)-beta,4-dihydroxy-3-methoxyphenethyloxy]acetophenone
8-Me ether, 6-O-beta-D-glucopyranoside-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
Torachrysone8-O-glucoside
Torachrysone 8-O-Glucoside is a natural product found in Rheum palmatum, Rheum undulatum, and other organisms with data available. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1]. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1].
ACon1_001328
Iriflophenone 3-C-glucoside is a natural product found in Aquilaria sinensis with data available. Iriflophenone 3-C-β-D-glucopyranoside, isolated from Cyclopia genistoides, has antioxidant activity[1]. Iriflophenone 3-C-β-D-glucopyranoside, isolated from Cyclopia genistoides, has antioxidant activity[1].
Ammajin
Marmesinin is a member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue. It has a role as a plant metabolite, a P450 inhibitor and an antioxidant. It is a beta-D-glucoside, a member of psoralens and a monosaccharide derivative. It is functionally related to a nodakenetin. Ammijin is a natural product found in Prangos tschimganica, Hansenia forbesii, and other organisms with data available. A member of the class of psoralens that is (-)-marmesin in which the hydroxy hydrogen is replaced by a beta-D-glucosyl residue.
Consist
C20H19F3N2O4 (408.12968500000005)
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins CONFIDENCE standard compound; INTERNAL_ID 8386 D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3181 CONFIDENCE standard compound; INTERNAL_ID 3714 INTERNAL_ID 3714; CONFIDENCE standard compound
Nodakenin
Nodakenin is a furanocoumarin. Nodakenin is a natural product found in Hansenia forbesii, Rhodiola rosea, and other organisms with data available. Marmesin galactoside is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Marmesin galactoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Marmesin galactoside can be found in herbs and spices, which makes marmesin galactoside a potential biomarker for the consumption of this food product. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2]. Nodakenin is a major coumarin glucoside in the root of Angelica decusiva. Nodakenin inhibits acetylcholinesterase (AChE) activity with an IC50 of 84.7 μM[1][2].
6a,12a-Didehydroamorphigenin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.283 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.284 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.281
8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
(4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
C19H20O10_(4-Methoxy-5-oxo-5H-furo[3,2-g]chromen-7-yl)methyl beta-D-glucopyranoside
C18H20N2O9_2,4(1H,3H)-Pyrimidinedione, 1-[3-O-(4-hydroxy-2-methoxy-6-methylbenzoyl)-alpha-D-ribofuranosyl]
C18H20N2O9 (408.11687500000005)
C18H20N2O9_Uridine, 2-(4-hydroxy-2-methoxy-6-methylbenzoate)
C18H20N2O9 (408.11687500000005)
(1s)-1,5-anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-d-glucitol
(1R,3R,6R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate
C18H20N2O9 (408.11687500000005)
[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate
C18H20N2O9 (408.11687500000005)
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
(4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone [IIN-based: Match]
8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one_major
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione_major
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione_41.2\\%
[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate_major
C18H20N2O9 (408.11687500000005)
(1s)-1,5-anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-d-glucitol_major
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,?.0?,¹¹.0¹³,¹?]nonadecane-5,15,18-trione
Ala Cys Asp Thr
Ala Cys Glu Ser
Ala Cys Ser Glu
Ala Cys Thr Asp
Ala Asp Cys Thr
Ala Asp Thr Cys
Ala Glu Cys Ser
Ala Glu Ser Cys
Ala Ser Cys Glu
Ala Ser Glu Cys
Ala Thr Cys Asp
Ala Thr Asp Cys
Cys Ala Asp Thr
Cys Ala Glu Ser
Cys Ala Ser Glu
Cys Ala Thr Asp
Cys Cys Pro Ser
Cys Cys Ser Pro
Cys Asp Ala Thr
Cys Asp Asp Gly
Cys Asp Gly Asp
Cys Asp Thr Ala
Cys Glu Ala Ser
Cys Glu Gly Thr
Cys Glu Ser Ala
Cys Glu Thr Gly
Cys Gly Asp Asp
Cys Gly Glu Thr
Cys Gly Thr Glu
Cys Pro Cys Ser
Cys Pro Ser Cys
Cys Ser Ala Glu
Cys Ser Cys Pro
Cys Ser Glu Ala
Cys Ser Pro Cys
Cys Thr Ala Asp
Cys Thr Asp Ala
Cys Thr Glu Gly
Cys Thr Gly Glu
Asp Ala Cys Thr
Asp Ala Thr Cys
Asp Cys Ala Thr
Asp Cys Asp Gly
Asp Cys Gly Asp
Asp Cys Thr Ala
Asp Asp Cys Gly
Asp Asp Gly Cys
Asp Gly Cys Asp
Asp Gly Asp Cys
Asp Gly Met Ser
Asp Gly Ser Met
Asp Met Gly Ser
Asp Met Ser Gly
Asp Ser Gly Met
Asp Ser Met Gly
Asp Thr Ala Cys
Asp Thr Cys Ala
Glu Ala Cys Ser
Glu Ala Ser Cys
Glu Cys Ala Ser
Glu Cys Gly Thr
Glu Cys Ser Ala
Glu Cys Thr Gly
Glu Gly Cys Thr
Glu Gly Thr Cys
Glu Ser Ala Cys
Glu Ser Cys Ala
Glu Thr Cys Gly
Glu Thr Gly Cys
Gly Cys Asp Asp
Gly Cys Glu Thr
Gly Cys Thr Glu
Gly Asp Cys Asp
Gly Asp Asp Cys
Gly Asp Met Ser
Gly Asp Ser Met
Gly Glu Cys Thr
Gly Glu Thr Cys
Gly Met Asp Ser
Gly Met Ser Asp
Gly Ser Asp Met
Gly Ser Met Asp
Gly Thr Cys Glu
Gly Thr Glu Cys
Met Asp Gly Ser
Met Asp Ser Gly
Met Gly Asp Ser
Met Gly Ser Asp
Met Ser Asp Gly
Met Ser Gly Asp
Pro Cys Cys Ser
Pro Cys Ser Cys
Pro Ser Cys Cys
Ser Ala Cys Glu
Ser Ala Glu Cys
Ser Cys Ala Glu
Ser Cys Cys Pro
Ser Cys Glu Ala
Ser Cys Pro Cys
Ser Asp Gly Met
Ser Asp Met Gly
Ser Glu Ala Cys
Ser Glu Cys Ala
Ser Gly Asp Met
Ser Gly Met Asp
Ser Met Asp Gly
Ser Met Gly Asp
Ser Pro Cys Cys
Thr Ala Cys Asp
Thr Ala Asp Cys
Thr Cys Ala Asp
Thr Cys Asp Ala
Thr Cys Glu Gly
Thr Cys Gly Glu
Thr Asp Ala Cys
Thr Asp Cys Ala
Thr Glu Cys Gly
Thr Glu Gly Cys
Thr Gly Cys Glu
Thr Gly Glu Cys
His-Met-OH
C17H20N4O6S (408.11035000000004)
4-Methoxybenzenepropanol 1-(2-sulfoglucoside)
Torachrysone 8-glucoside
Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1]. Torachrysone-8-O-b-D-glucoside could be isolated from root of Polygonum multiflorum. Torachrysone-8-O-b-D-glucoside increases the proliferation of DPCs (dermal papilla cells)[1].
Wybutoxine
Marmesin galactoside
3-[[2-[4-[(5-nitropyridin-2-yl)amino]phenoxy]acetyl]amino]benzoic acid
2,2-(5-Bromo-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
1,2-Ethanediaminium,N1,N2-dimethyl-N1,N1,N2,N2-tetra-2-propen-1-yl-, bromide (1:2)
ARTEFLENE
C19H18F6O3 (408.11600699999997)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
4-[4,5-DIHYDRO-5-(1H-INDOL-3-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-BENZENESULFONAMIDE
Elfazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
sym-Trimethyltriphenylcyclo trisiloxane
C21H24O3Si3 (408.10331940000003)
Boc-S-benzyl-L-cysteine N-hydroxysuccinimide ester
N,N-Dimethyl-2,7-diazapyrenium difluoroborate
C16H14B2F8N2 (408.12152799999996)
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-
C17H20N4O6S (408.11035000000004)
Zinc acexamate
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-(4-(1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL)-1H-PYRAZOL-1-YL)ETHANOL HYDROCHLORIDE
2-BENZAMIDO-3-(4-(N,N-BIS-(2-CHLOROETHYL)AMINO)PHENYL)PROPIONIC ACID
omapatrilat
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
1,4-Bis(7-chloroquinolin-4-yl)piperazine
C22H18Cl2N4 (408.09084479999996)
3,9-dibenzyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide
tesaglitazar
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist
[(1S,2S,6R)-5,6-diacetyloxy-1-hydroxy-2-(2-hydroxyethoxy)-1-cyclohex-3-enyl]methyl benzoate
bis[μ-[n,n-bis(1-methylethyl)-ethanimidamidato-κn:κn]]di-copper
(S)-2-[(S)-(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester
2-(4-Methoxybenzyl)-2-[4-(4-methoxybenzyloxy)phenyl]acetic acid
Contezolid
D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C258 - Antibiotic
Leriglitazone hydrochloride
C19H21ClN2O4S (408.0910496000001)
C78272 - Agent Affecting Nervous System Leriglitazone (MIN-102; Hydroxypioglitazone) hydrochloride, a metabolite of pioglitazone. Leriglitazone hydrochloride PioOH is a PPARγ agonist, stabilizes the PPARγ activation function-2 (AF-2) co-activator binding surface and enhances co-activator binding, affording slightly better transcriptional efficacy. Leriglitazone hydrochloride binds to the PPARγ C-terminal ligand-binding domain (LBD) with a Ki of 1.2 μM，Leriglitazone induces transcriptional efficacy of the PPARγ (LBD) with an EC50 of 680 nM[1].
N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide
(1R)-N,6-Dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
C18H20N2O7S (408.09911700000004)
Ethyl Biscoumacetate
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
Ginkgolid A
Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist. Ginkgolide A (BN-52020) is an extract from in Ginkgo biloba and a g-aminobutyric acid (GABA) antagonist.
4-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-4,8-dimethyl-2,3-dioxabicyclo[3.3.1]nonan-7-one
C19H18F6O3 (408.11600699999997)
N-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide
C19H16N6O3S (408.10045460000003)
4-dimethoxyphosphoryl-2-(1-naphthalenyl)-N-(phenylmethyl)-5-oxazolamine
C22H21N2O4P (408.12388760000005)
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)oxy]-N-methyl-N-phenylacetamide
C20H16N4O2S2 (408.07146359999996)
6-(4,5-dihydrothiazol-2-ylthio)-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
3-(4-chlorophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
C23H18ClFN2O2 (408.10407699999996)
2-Amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
4-phenyl-N-[6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-yl]-2-thiazolamine
(1S,5R)-6-(benzenesulfonyl)-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
[(2R,3R)-6-[(2,5-difluorophenyl)methyl]-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C20H22F2N2O3S (408.1319126000001)
3,4,5-Trihydroxy-6-[2-oxo-6-(3-oxobutyl)chromen-7-yl]oxyoxane-2-carboxylic acid
6-[3-[(E)-but-1-enyl]-5-hydroxy-1-oxoisochromen-6-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(3-Ethyloxiran-2-yl)-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-trihydroxy-6-[[6-[(E)-2-methoxyethenyl]-2-oxochromen-7-yl]methoxy]oxane-2-carboxylic acid
2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
6-[3-[(E)-but-1-enyl]-6-hydroxy-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-[(E)-but-1-enyl]-7-hydroxy-1-oxoisochromen-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-trihydroxy-6-[6-[(E)-2-methoxyethenyl]-7-methyl-2-oxochromen-3-yl]oxyoxane-2-carboxylic acid
(1R,3R,6S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
(1R,3R,6S,8S,10R,11R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
8,9-Dihydro-8-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]-2H-furo[2,3-h]-1-benzopyran-2-one
(1S,3R,6R,7S,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1),(1)(1).0(3),.0,(1)(1).0(1)(3),(1)]nonadecane-5,15,18-trione
2-(15-Ethyl-3,5,6,7-tetrahydroxy-16-methyl-8-oxo-14,17-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),10-trien-13-yl)acetic acid
5,9,14,18-Tetraoxo-5,6,7,8,9,14,15,16,17,18-decahydro-7,16-methanodinaphtho(2,3-A:23-F)cyclodecene
2-(4-Bromophenyl)-2-oxoethyl 12-oxododec-9(Z)-enoate
6,7,8,15,16,17-Hexahydro-7,16-methanocyclodeca[1,2-b:6,7-b]dinaphthalene-1,4,9,14-tetrone
(1R,3R,6R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1),(1)(1).0(3),.0,(1)(1).0(1)(3),(1)]nonadecane-5,15,18-trione
CCG-203971
CCG-203971 is a second-generation Rho/MRTF/SRF pathway inhibitor. CCG-203971 potently targets RhoA/C-activated SRE-luciferase (IC50 =6.4 μM). CCG-203971 inhibits PC-3 cell migration with an IC50 of 4.2 μM. Potential anti-metastasis Agent[1][2].
γ-Glu-Phe (TFA)
C16H19F3N2O7 (408.11442999999997)
γ-Glu-Phe TFA (γ-Glutamylphenylalanine TFA) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe TFA or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1].
(2r,3r,4r,5r)-4-hydroxy-2-(4-hydroxy-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoate
C18H20N2O9 (408.11687500000005)
1-(1-hydroxy-8-methoxy-3-methyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone
6-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
6,7-dimethoxy-7',7'-dimethyl-2h-spiro[1-benzopyran-3,2'-furo[2,3-f]chromene]-3',4-dione
6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-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
9-formyl-6-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
(1s,2r,4s,5r,14r,17r)-5-[(2s)-2-hydroxy-1-[(r)-methanesulfinyl]propan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,12-diene-7,15-dione
2-{2-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-6-methyloxane-3,4,5-triol
8-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
(1s,4as,5r,7r,7as)-5,7-dihydroxy-7-(hydroxymethyl)-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-carboxylic acid
1,3,4,6,7-pentahydroxy-2-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]xanthen-9-one
2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1-(3,4,5-trihydroxyphenyl)-1,4-dihydronaphthalene-2-carboxylic acid
5-(1,2-dihydroxyethyl)-4a-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,5h,6h-pyrano[3,4-c]pyran-1-one
(2s,3r,4r,5r,6s)-2-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-6-methyloxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-[3,5-dihydroxy-4-(3-hydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2r,5r,14s,17r)-5-[(2r)-2-hydroxy-1-[(s)-methanesulfinyl]propan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,12-diene-7,15-dione
(2r,3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoate
C18H20N2O9 (408.11687500000005)
(1s,2r,4s,5r,10s,14s,17r)-5-[(2r)-2-hydroxy-1-methanesulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,12-diene-7,15-dione
(2s,14r,28r)-28-hydroxy-4,11,15,22-tetraazaheptacyclo[13.11.1.1²,¹⁴.0³,¹².0⁵,¹⁰.0¹⁶,²¹.0²³,²⁷]octacosa-1(27),3(12),4,7,9,16,18,20,22,24-decaene-6,26-dione
C24H16N4O3 (408.12223459999996)
2-(acetyloxy)-1-[(benzoyloxy)methyl]-7-oxabicyclo[4.1.0]hept-4-en-3-yl benzoate
(1s,2r,4s,5r,10s,14r,17r)-5-[(2s)-2-hydroxy-1-[(r)-methanesulfinyl]propan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,12-diene-7,15-dione
8,8-dimethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h,10h-pyrano[2,3-h]chromen-2-one
4-o-β-d-glucopyranosyl-2,6,4'-trihydroxy-benzophenone
{"Ingredient_id": "HBIN010744","Ingredient_name": "4-o-\u03b2-d-glucopyranosyl-2,6,4'-trihydroxy-benzophenone","Alias": "NA","Ingredient_formula": "C19H20O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8740","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-cis-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN012581","Ingredient_name": "6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-cis-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "C=C(CCO)C(=O)OCC1C(C(C(C(O1)OC(=O)C=CC2=CC=CC=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10489","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-trans-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN012582","Ingredient_name": "6-o-(4'-hydroxy-2'-methylene-butyryl)-1-o-trans-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "C=C(CCO)C(=O)OCC1C(C(C(C(O1)OC(=O)C=CC2=CC=CC=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10490","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(trans-cinnamoyl)-1-o-(4''-hydroxy-3''-methylfuran-2''-one)-β-d-glucopyranose
{"Ingredient_id": "HBIN012718","Ingredient_name": "6-o-(trans-cinnamoyl)-1-o-(4''-hydroxy-3''-methylfuran-2''-one)-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "CC1C(COC1=O)OC2C(C(C(C(O2)COC(=O)C=CC3=CC=CC=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-o-methylaloeresin
{"Ingredient_id": "HBIN013398","Ingredient_name": "7-o-methylaloeresin","Alias": "7-methoxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 7-O-Methylaloesin; AC1NSY7G","Ingredient_formula": "C20H24O9","Ingredient_Smile": "CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)OC","Ingredient_weight": "408.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16532","TCMID_id": "14122","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5319505","DrugBank_id": "NA"}
abruquinone g
{"Ingredient_id": "HBIN014258","Ingredient_name": "abruquinone g","Alias": "NA","Ingredient_formula": "C20H24O9","Ingredient_Smile": "COC1=C(C(=C2C(=C1)C(C(CO2)C3=CC(=C(C(=C3O)OC)OC)O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Aquilarixanthone
{"Ingredient_id": "HBIN016545","Ingredient_name": "Aquilarixanthone","Alias": "NA","Ingredient_formula": "C18H16O11","Ingredient_Smile": "C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C4=CC(=C(C=C4O3)O)O)O)O)O)O)O","Ingredient_weight": "408.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33137","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "51034839","DrugBank_id": "NA"}
(4s,8s,10s)-16-acetyl-2,12-dihydroxy-10-methyl-5,9-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione
5-(2-hydroxy-1-methanesulfinylpropan-2-yl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,12-diene-7,15-dione
(3s,5s)-5-acetyl-5-[(1s,3s,4s)-3-bromo-4-chloro-4-methylcyclohexyl]-2,2-dimethyloxolan-3-yl acetate
(2r,3r)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(1r)-1-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-5-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}cyclohexa-2,5-diene-1,4-dione
10,15,22-trihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3,5,9,11,14,16(21),19-octaen-2-one
(3as,4s,5r,9ar,9br)-8-chloro-5-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-2-methylbut-2-enoate
C20H21ClO7 (408.09757460000003)
2-[2-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methoxyphenoxy]oxane-3,4,5-triol
[(9s)-3,17-dihydroxy-16-methoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2(19),3,5,14(18),15-hexaen-9-yl]oxidanesulfonic acid
1-(1-hydroxy-6-methoxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone
methyl (3s,4s,5s,6s)-6-chloro-3,4-dihydroxy-5-{[(1s,4r,5r,6r)-4,5,6-trihydroxy-2-(methoxycarbonyl)cyclohex-2-en-1-yl]oxy}cyclohex-1-ene-1-carboxylate
(2s,3r,4s,5s,6r)-2-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
(1r,4r,5r,7r,8r,11r,13s,17s,18s,19r)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
2-[1,2-dihydroxy-1-(oxiran-2-yl)ethyl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
2-[3,5-dihydroxy-4-(4-hydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,4z,5r,6r)-5-(carboxymethyl)-4-(carboxymethylidene)-6-(3,4-dihydroxyphenyl)-5-hydroxycyclohex-2-ene-1,2-dicarboxylic acid
10,13-dihydroxy-6-methyl-7,18-dioxo-5-oxapentacyclo[9.7.0.0²,⁸.0⁴,⁶.0¹²,¹⁷]octadeca-1(11),2(8),9,12,14,16-hexaen-3-yl 2-methylbutanoate
(2s,3r,4s,5s,6r)-2-{2-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2e)-3-phenylprop-2-enoyl]oxy}oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
methyl 2-ethyl-4,5,7,12-tetrahydroxy-6,11-dioxotetracene-1-carboxylate
(6s,21s)-21-hydroxy-16,17-dimethoxy-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
1-(4-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-2-hydroxyethanone
(2s,3r,4s,5s,6r)-2-[3,5-dihydroxy-4-(4-hydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(8s)-8-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
(1z,2r)-1-[(2r)-2-({4-[(1e)-but-1-en-1-yl]-2,5-dioxofuran-3-yl}methyl)butylidene]butane-1,2,4-tricarboxylic acid
(2s,3r,4s,5s,6r)-2-({3',5'-dimethoxy-[1,1'-biphenyl]-4'-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.0²,⁴]octadeca-1(18),8,14,16-tetraene-7-carboxylate
(2s,3r,4s,5s,6r)-2-[4-(2,6-dihydroxybenzoyl)-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2r)-6-(2h-1,3-benzodioxol-5-yl)-4,5-dimethoxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
methyl 4-[(2r,5s)-5-[(3e,9e,11e)-12-bromododeca-3,9,11-trien-1-yn-1-yl]oxolan-2-yl]butanoate
(7r,8ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-7-yl acetate
1-(1-hydroxy-8-methoxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone
methyl 4-[5-(12-bromododeca-3,9,11-trien-1-yn-1-yl)oxolan-2-yl]butanoate
(3ar,4s,9as,9br)-9-formyl-6-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
3-(2h-1,3-benzodioxol-5-yl)-5,10-dimethoxy-8,8-dimethylpyrano[3,2-g]chromen-4-one
methyl 4-{5-[(11e)-12-bromododeca-3,9,11-trien-1-yn-1-yl]oxolan-2-yl}butanoate
(1s,4s,5r,6r,10s)-4-hydroxy-13-methoxy-5-methyl-3,11,18-trioxopentacyclo[8.8.1.0¹,¹⁰.0²,⁷.0¹²,¹⁷]nonadeca-2(7),8,12(17),13,15-pentaen-6-yl acetate
16-acetyl-2,12-dihydroxy-10-methyl-5,9-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione
5,12,14-trihydroxy-2,2,10,10-tetramethyl-1,11,13-trioxapentacen-6-one
7-methyl-3-[5,6,7-trihydroxy-4-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]-1,3-dihydro-2-benzofuran-1,4,5,6-tetrol
4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-one
2-({3',5'-dimethoxy-[1,1'-biphenyl]-4'-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(22s)-22-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),3,5,9,11,15(20),16,18-octaen-13-one
4-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-one
10-hydroxy-16,17-dimethoxy-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
22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4(9),5,7,14,16(21),19-octaen-2-one
7-methoxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(9s,10s)-9-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl benzoate
(1r)-1-[(2s,4s,6s)-10-(acetyloxy)-11,12-dimethoxy-8-oxo-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-4-yl]propyl acetate
(1s,2s,3r)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1-(3,4,5-trihydroxyphenyl)-1,4-dihydronaphthalene-2-carboxylic acid
(2s,3r,4s,5r)-2-[2-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methoxyphenoxy]oxane-3,4,5-triol
(1s,2r,4s,5r,10s,14s,17r)-5-[(2r)-2-hydroxy-1-[(s)-methanesulfinyl]propan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadeca-8,12-diene-7,15-dione
(2s,3r,4s,5r)-2-[2-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methoxyphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
(1s,2s,3r,6s)-2-(acetyloxy)-1-[(benzoyloxy)methyl]-7-oxabicyclo[4.1.0]hept-4-en-3-yl benzoate
(1r,4s,5s,9s,11s,14s,15s,19r)-5,15-dihydroxy-1-(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone
(6r)-10-hydroxy-16,17-dimethoxy-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
5,15-dihydroxy-1-(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosane-2,8,12,18-tetrone
[(2r,3r,4s,5r,8e)-9-(3,4-dihydroxyphenyl)-1,2,3,5-tetrahydroxy-6-oxonon-8-en-4-yl]oxysulfonic acid
(3r,4s,6s)-10,13-dihydroxy-6-methyl-7,18-dioxo-5-oxapentacyclo[9.7.0.0²,⁸.0⁴,⁶.0¹²,¹⁷]octadeca-1(11),2(8),9,12,14,16-hexaen-3-yl 2-methylbutanoate
methyl 4-[(2r,5s)-5-[(3e,9z,11z)-12-bromododeca-3,9,11-trien-1-yn-1-yl]oxolan-2-yl]butanoate
methyl 5-hydroxy-7-[2-(2-isopropyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-3-methoxy-4-methylhepta-2,6-dienoate
2-(2h-1,3-benzodioxol-5-yl)-3,6-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
22-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),3,5,9,11,15(20),16,18-octaen-13-one
(2s,14s,28s)-28-hydroxy-1,4,11,20-tetraazaheptacyclo[13.11.1.1²,¹⁴.0³,¹².0⁵,¹⁰.0¹⁹,²⁷.0²¹,²⁶]octacosa-3(12),4,7,9,15(27),17,19,21,23,25-decaene-6,16-dione
C24H16N4O3 (408.12223459999996)
3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl 2h-1,3-benzodioxole-5-carboxylate
2',6-dihydroxy-5'-[(2s,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-[1,1'-biphenyl]-3-carbaldehyde
methyl (2e,4r,5s,6e)-5-hydroxy-7-[2-(2-isopropyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-3-methoxy-4-methylhepta-2,6-dienoate
(4ar,5r,6s)-5-[(1s)-1,2-dihydroxyethyl]-4a-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,5h,6h-pyrano[3,4-c]pyran-1-one
9-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl benzoate
4-hydroxy-2-(4-hydroxy-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoate
C18H20N2O9 (408.11687500000005)
5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dien-1-yl]-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-7-yl acetate
2-[2-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methoxyphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
5,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
methyl (3s,4r,5s,6s)-6-chloro-3,4-dihydroxy-5-{[(1s,4s,5r,6s)-4,5,6-trihydroxy-2-(methoxycarbonyl)cyclohex-2-en-1-yl]oxy}cyclohex-1-ene-1-carboxylate
5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-7-yl acetate
21-hydroxy-16,17-dimethoxy-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
(6s)-10-hydroxy-16,17-dimethoxy-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
methyl 6-chloro-3,4-dihydroxy-5-{[4,5,6-trihydroxy-2-(methoxycarbonyl)cyclohex-2-en-1-yl]oxy}cyclohex-1-ene-1-carboxylate
2-{2,4-dihydroxy-6-[(4-hydroxy-6-oxopyran-2-yl)methyl]phenyl}-7-hydroxy-5-methylchromen-4-one
2-[4-(2,6-dihydroxybenzoyl)-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-acetyl-5-(3-bromo-4-chloro-4-methylcyclohexyl)-2,2-dimethyloxolan-3-yl acetate
methyl 4-[(2r,5s)-5-[(3e,9z,11e)-12-bromododeca-3,9,11-trien-1-yn-1-yl]oxolan-2-yl]butanoate
methyl 4-[(2r,5s)-5-[(3e,9e,11z)-12-bromododeca-3,9,11-trien-1-yn-1-yl]oxolan-2-yl]butanoate
17,18-dimethoxy-6-(prop-1-en-2-yl)-2,7,14,21-tetraoxapentacyclo[11.9.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]docosa-1(13),3,8,10,15,17,19-heptaen-12-one
2',6-dihydroxy-5'-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-[1,1'-biphenyl]-3-carbaldehyde
2-({5,13-dihydroxy-4-methoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4r,5s)-2-[2-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methoxyphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
(6r)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-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
6,7-dimethoxy-11'-(prop-1-en-2-yl)-2h-3',10'-dioxaspiro[1-benzopyran-3,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1'(9'),2'(6'),7'-triene-4,5'-dione
(2r,3s,4r,5r,6s)-2-(hydroxymethyl)-6-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxane-3,4,5-triol
4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl 4-hydroxy-2-methoxy-6-methylbenzoate
C18H20N2O9 (408.11687500000005)
8-chloro-5-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
C20H21ClO7 (408.09757460000003)