Exact Mass: 308.0968
Exact Mass Matches: 308.0968
Found 244 metabolites which its exact mass value is equals to given mass value 308.0968,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Warfarin
Warfarin is an anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-bis(4-hydroxyphenyl)-
Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
Quercetin 3-O-sophoroside
D004396 - Coloring Agents > D050858 - Betalains
Allamandin
warfarin
A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals Warfarin is a rodenticide used in the home, outdoors, in food service establishments, near fruit trees, in storage buildings, sewers and other places where rodents may be a problem. This white, odorless, tasteless compound, an anti-coagulant, causes bleeding and blood-thinning. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4694; ORIGINAL_PRECURSOR_SCAN_NO 4690 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4720; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4676; ORIGINAL_PRECURSOR_SCAN_NO 4675 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4690; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4734; ORIGINAL_PRECURSOR_SCAN_NO 4730 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4724; ORIGINAL_PRECURSOR_SCAN_NO 4721 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9135; ORIGINAL_PRECURSOR_SCAN_NO 9131 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9068; ORIGINAL_PRECURSOR_SCAN_NO 9067 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9082; ORIGINAL_PRECURSOR_SCAN_NO 9080 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9187; ORIGINAL_PRECURSOR_SCAN_NO 9186 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9209; ORIGINAL_PRECURSOR_SCAN_NO 9207 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9110; ORIGINAL_PRECURSOR_SCAN_NO 9108 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4716 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4720; ORIGINAL_PRECURSOR_SCAN_NO 4719 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4745; ORIGINAL_PRECURSOR_SCAN_NO 4744 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4738; ORIGINAL_PRECURSOR_SCAN_NO 4733 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4832; ORIGINAL_PRECURSOR_SCAN_NO 4831 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4726; ORIGINAL_PRECURSOR_SCAN_NO 4723 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9106; ORIGINAL_PRECURSOR_SCAN_NO 9104 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9130 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9163; ORIGINAL_PRECURSOR_SCAN_NO 9159 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9170; ORIGINAL_PRECURSOR_SCAN_NO 9166 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9145; ORIGINAL_PRECURSOR_SCAN_NO 9142 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9185; ORIGINAL_PRECURSOR_SCAN_NO 9180 CONFIDENCE standard compound; INTERNAL_ID 2415 CONFIDENCE standard compound; INTERNAL_ID 4042 CONFIDENCE standard compound; INTERNAL_ID 8347 INTERNAL_ID 4042; CONFIDENCE standard compound
Bisdemethoxycurcumin
Bisdemethoxycurcumin is a curcuminoid, a component of tumeric. Tumeric is a spice that comes from the root Curcuma longa, a member of the ginger family, Zingaberaceae. It is bright yellow and has been used as a coloring agent in food in the United States. In India, it has been used for centuries as a spice and a food preservative, and also for its various medicinal properties. In Ayurveda (Indian traditional medicine), tumeric has been used for its medicinal properties for various indications and through different routes of administration. It has been used topically on the skin for wounds, blistering diseases such as pemphigus and herpes zoster, for parasitic skin infections, and for acne. It has been used via oral administration for the common cold, liver diseases, urinary tract diseases, and as a blood purifier. For chronic rhinitis and coryza, it has been used via inhalation. The average intake of tumeric in the diet in India is approximately 2 to 2.5 g in a 60 kg individual. This corresponds to an intake of approximately 60 to 100 mg of curcumin daily. The Food and Drug Administration has classified tumeric among substances Generally Recognized as Safe (GRAS). A large number of in vitro and animal studies have been conducted to evaluate the effect of curcumin on inflammation. It has been found to act at various different levels of the arachadonic acid inflammatory cascade and through effects on various enzymes and cytokines. (PMID: 12676044). Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a beta-diketone, a polyphenol, an enone and a diarylheptanoid. It is functionally related to a 4-coumaric acid. Bisdemethoxycurcumin is a natural product found in Curcuma amada, Curcuma kwangsiensis, and other organisms with data available. A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. Isolated from Curcuma zedoaria (zedoary) and Curcuma longa (turmeric) (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
Moracin D
Moracin D is a member of benzofurans. Moracin D is a natural product found in Morus alba var. multicaulis, Broussonetia papyrifera, and other organisms with data available. Moracin D is found in fruits. Moracin D is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin D is found in mulberry and fruits.
Indicaxanthin
Indicaxanthin is found in fruits. Indicaxanthin is a constituent of the fruits of Opuntia ficus-indica (Indian fig) Indicaxanthin is a type of betaxanthin, a plant pigment present in beets, prickly pear cactus, and a powerful antioxidant. It is also found in red dragonfruit D004396 - Coloring Agents > D050858 - Betalains
Moracin E
Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin E is found in mulberry and fruits. Moracin E is found in fruits. Moracin E is isolated from Morus alba (white mulberry) infected with Fusarium solani.
Moracin G
Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin G is found in mulberry and fruits. Moracin G is found in fruits. Moracin G is isolated from Morus alba (white mulberry) infected with Fusarium solani.
Glyinflanin H
Glyinflanin H is found in herbs and spices. Glyinflanin H is a constituent of Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza glabra (licorice). Glyinflanin H is found in tea and herbs and spices.
Kanzonol U
Kanzonol U is found in herbs and spices. Kanzonol U is a constituent of Glycyrrhiza glabra (licorice)
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits. (1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is isolated from Musa acuminata (dwarf banana) infected with Colletotrichum musae. Isolated from Musa acuminata (dwarf banana) infected with Colletotrichum musae. (1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits.
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) is found in green vegetables. 4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) is produced by a Phoma sp. on leaves and stalks of rhubarb. Production by a Phoma species on leaves and stalks of rhubarb. 4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) is found in green vegetables.
N-Succinimidyl 6-Maleimidohexanoate
4-Methylumbelliferyl beta-D-xylopyranoside
Catechin hydrate
(+)-catechin monohydrate is the monohydrate of (+)-catechin. It has a role as a geroprotector. It contains a (+)-catechin.
Dihydrofusarubin
Bisdemethoxycurcumin
(E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
7-(2,3-dihydroxy-3-methylbutylloxy)-5,6-methylenedioxycoumarin
1,2,3,4-tetrahydro-6,7-dihydroxy-1-(4-hydroxycinnamylidene)naphthalen-2-one
2-Allyl-3,6-dihydroxy-7,8-dimethyl-1,4-phenanthrenedione #
2-(1,3-Benzodioxole-5-yl)-3-methyl-5-(2-oxopropyl)benzofuran
3-(4-Hydroxyphenyl)-trans-propenoic acid-2,3-dihydroxypropyl ester
(1R,9R)-4,6-dihydroxy-1-methyl-1-(2-methylbutanoyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid|ascolactone A
2-(4-Hydroxyphenyl)-7-methoxy-5-(1-propenyl)-3-benzofurancarboxaldehyde|3-formyl-2-(4-hydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran
4-(2,3-Dihydroxy-3-methylbutoxy)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-one
moracin SC|[2,3:6,7]-(6,6-dimethylpyrano)-2-(3,5-dihydroxyphenyl)benzofuran
6-(3-Hydroxybuty)-7-methoxy-2,3,5-trihydroxy-1,4-naphthoquinone
5-O-feruloyl-2-deoxy-D-ribono-gamma-lactone|[(2R,3S)-1,2,3,4-tetrahydro-3-hydroxy-5-oxofuran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Sotalol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one_major
4-(4-hydroxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl 2-hydroxy-6-methylbenzoate
Glyinflanin H
A chromenol that is 2,2-dimethyl-2H-chromen-5-ol substituted by a 6-hydroxy-1-benzofuran-2-yl group at position 6.
c-[4-(4-methoxy-benzyl)-morpholin-2-yl]-methylamine dihydrochloride
(4-Methylumbelliferone)-β-D-xylopyranoside
4-Methylumbelliferyl-β-D-xylopyranoside (MuX) can be used as substrate for the research of β-Xylosidase activity. 4-Methylumbelliferyl-β-D-xylopyranoside shows burst, steady-state kinetics, which supports the conclusion that hydrolysis of the glycosidic bonds for the substrate 4-Methylumbelliferyl-β-D-xylopyranoside is rapid[1][2].
4,5-DIHYDRO-7-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
2-(pentafluoro-λ6-sulfanyl)ethynyl-tri(propan-2-yl)silane
(4R,12aS)-7-Methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
diethyl 2-[(3-nitroanilino)methylidene]propanedioate
4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
ethyl 1-(5-chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylate
1-[(4-NITROBENZYLOXY)CARBONYL]-PIPERIDINE-2-CARBOXYLIC ACID
3-[3-(4-FLUORO-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID
N-(4,5-DIMETHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-BENZAMIDE
4-(8-Fluoro-3,4,5,6-tetrahydro-6-oxo-1H-azepino[5,4,3-cd]indol-2-yl)benzaldehyde
5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-amine
1-(4-Methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone
2,5-Pyrrolidinedione, 1,1-(1,6-dioxo-1,6-hexanediyl)bis-
N-Acetylneuraminate
A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group.
N-Acetyl-beta-neuraminate
A monocarboxylic acid anion resulting from deprotonation of the carboxy group of N-acetyl-beta-neuraminic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Acetyl-alpha-neuraminate
A monocarboxylic acid anion that is the conjugate base of N-acetyl-alpha-neuraminic acid.
6-(2-Amino-2-carboxyethyl)-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylic acid
[(3S)-4-(5-methylhexanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]pyrrolidin-1-ium-2-carboxylate
D004396 - Coloring Agents > D050858 - Betalains
(S)-4-(2-((S)-2-Carboxypyrrolidin-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid
4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
12-Sulfooxy-9,10-dihydrojasmonic acid
A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methyl hydrogens at position 12 has been replaced by a sulfooxy group.
11-Sulfooxy-9,10-dihydrojasmonic acid
A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methylene hydrogens at position 11 has been replaced by a sulfooxy group.
4-[3-(3,4-Dihydroxyphenyl)-2-hydroxypropyl]benzene-1,2,3,5-tetrol
(Z)-2-cyano-N-(3-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol
7-hydroxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione
(3-hydroxy-5-oxooxolan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(2s)-4-[(1e)-2-[(2s)-2-carboxypyrrolidin-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
methyl 5,6,10-trihydroxy-4-methyl-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate
3-(2-hydroxy-4-methoxy-5-{5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl}phenyl)propanoic acid
(1r,4s,6s,8s,13r,14r)-8-hydroxy-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadec-11-ene-10,16-dione
(4as)-4a,8-dihydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
(2s)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
(1r,4s,6s,8r,13r,14r)-8-hydroxy-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadec-11-ene-10,16-dione
6-butanoyl-1-hydroxy-7-methylphenanthrene-9,10-dione
(1r,2s,6r,10r,11r,14r)-10,14-dihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-4-ene-3,9,13-trione
1,8-dihydroxy-3-methyl-1,2,3,4-tetrahydrotetraphene-7,12-dione
(3s)-8-hydroxy-3-methyl-3,4,5,6-tetrahydro-2h-tetraphene-1,7,12-trione
(2e)-3-{2'-hydroxy-4-methoxy-5'-[(1e)-3-oxoprop-1-en-1-yl]-[1,1'-biphenyl]-3-yl}prop-2-enal
(1r)-2-oxo-3,4-dehydroneomajucin
{"Ingredient_id": "HBIN003031","Ingredient_name": "(1r)-2-oxo-3,4-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CC1C(=O)C=C2C13C)C(C4(C2(COC4=O)C)O)OC(=O)C3O","Ingredient_weight": "308.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16297","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11522412","DrugBank_id": "NA"}
(1s)-2-oxo-3,4-dehydroneomajucin
{"Ingredient_id": "HBIN003195","Ingredient_name": "(1s)-2-oxo-3,4-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16298","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(3,4-methylenedioxyphenyl)-3-methyl-5-(2-oxopropyl)benzofuran
{"Ingredient_id": "HBIN003889","Ingredient_name": "2-(3,4-methylenedioxyphenyl)-3-methyl-5-(2-oxopropyl)benzofuran","Alias": "NA","Ingredient_formula": "C19H16O4","Ingredient_Smile": "CC1=C(OC2=C1C=C(C=C2)CC(=O)C)C3=CC4=C(C=C3)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14373","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(4-hydroxyphenyl)-trans-propenoicacid-2,3-dihydroxypropyl ester
{"Ingredient_id": "HBIN007487","Ingredient_name": "3-(4-hydroxyphenyl)-trans-propenoicacid-2,3-dihydroxypropyl ester","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CCC(=O)OC(=C(C(=O)O)OC(=O)CC)C1=CC=C(C=C1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15899","TCMID_id": "10635","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
allamandin
{"Ingredient_id": "HBIN015189","Ingredient_name": "allamandin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CC=C1C2C3(C=CC4C3C(O2)OC(C4C(=O)OC)O)OC1=O","Ingredient_weight": "308.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "913","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6436806","DrugBank_id": "NA"}
allamansicin
{"Ingredient_id": "HBIN015190","Ingredient_name": "allamansicin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CC(C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "914","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
