Exact Mass: 282.10043740000003
Exact Mass Matches: 282.10043740000003
Found 500 metabolites which its exact mass value is equals to given mass value 282.10043740000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Xylobiose
Xylobiose is a glycosylxylose that is D-xylopyranose having a beta-D-xylopyranosyl residue attached at position 4 via a glycosidic bond. It has a role as a bacterial metabolite. Xylobiose is a natural product found in Streptomyces ipomoeae, Chlamydomonas reinhardtii, and Streptomyces rameus with data available. 4-O-beta-D-Xylopyranosyl-L-arabinose is found in fruits. 4-O-beta-D-Xylopyranosyl-L-arabinose is isolated from acid hydrolysate of peach gum. Isolated from acid hydrolysate of peach gum. 4-O-beta-D-Xylopyranosyl-L-arabinose is found in fruits. Xylobiose (1,4-β-D-Xylobiose; 1,4-D-Xylobiose) is a disaccharide?of?xylose?monomers with a β-1, 4 bond between monomers[1].
2-Hydroxynevirapine
2-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 2-Hydroxynevirapine is a metabolite of Nevirapine. 2-hydroxynevirapine belongs to the family of Pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
5,7-Dimethoxyflavone
5,7-Dimethoxyflavone is found in tea. 5,7-Dimethoxyflavone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). 5,7-Dimethylchrysin is found in tea. 5,7-Dimethoxyflavone is one of the major components of Kaempferia parviflora, has anti-obesity, anti-inflammatory, and antineoplastic effects. 5,7-Dimethoxyflavone inhibits cytochrome P450 (CYP) 3As. 5,7-Dimethoxyflavone is also a potent Breast Cancer Resistance Protein (BCRP) inhibitor[1][2]. 5,7-Dimethoxyflavone is one of the major components of Kaempferia parviflora, has anti-obesity, anti-inflammatory, and antineoplastic effects. 5,7-Dimethoxyflavone inhibits cytochrome P450 (CYP) 3As. 5,7-Dimethoxyflavone is also a potent Breast Cancer Resistance Protein (BCRP) inhibitor[1][2].
2-Aminoadenosine
2-Aminoadenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
Dehydrocoformycin
A coformycin derivative in which the hydroxy group on the diazepine ring of coformycin is replaced by an oxo group.
7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin
beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranose
5-O-a-L-Arabinofuranosyl-L-arabinose
5-O-a-L-Arabinofuranosyl-L-arabinose is found in fruits. 5-O-a-L-Arabinofuranosyl-L-arabinose is from stem mucilage of Opuntia ficus-indica (Indian fig). It is isolated from partial acid hydrolysates of sugar beet araban. From stem mucilage of Opuntia ficus-indica (Indian fig). Isolated from partial acid hydrolysates of sugar beet araban. 5-O-a-L-Arabinofuranosyl-L-arabinose is found in fruits and root vegetables.
5,7-Dimethoxyisoflavone
5,7-Dimethoxyisoflavone is found in nuts. 5,7-Dimethoxyisoflavone is isolated from peanut (Arachis hypogaea) seed Isolated from peanut (Arachis hypogaea) seeds. 5,7-Dimethoxyisoflavone is found in peanut and nuts.
5-Hydroxy-7-methoxy-6-methylflavone
5-Hydroxy-7-methoxy-6-methylflavone is found in tea. 5-Hydroxy-7-methoxy-6-methylflavone is isolated from Leptospermum scoparium (red tea). Isolated from Leptospermum scoparium (red tea). 5-Hydroxy-7-methoxy-6-methylflavone is found in tea.
Arabinofuranobiose
Arabinofuranobiose is formed on partial acid hydrolysis of sugar beet araban and certain plant gums. Arabinofuranobiose belongs to the family of Other Disaccharides. These are disaccharides that are neither an hexose disaccharide nor a mixed hexose/pentose disaccharide.
5-O-beta-D-Xylopyranosyl-L-arabinose
5-O-beta-D-Xylopyranosyl-L-arabinose is found in fruits. 5-O-beta-D-Xylopyranosyl-L-arabinose is isolated from partial acid hydrolysates of peach, Cholla (Opuntia fulgida), Opuntia ficus-indica (Indian fig) and Virgilia oroboides gums. Isolated from partial acid hydrolysates of peach, Cholla (Opuntia fulgida), Opuntia ficus-indica (Indian fig) and Virgilia oroboides gums. 5-O-beta-D-Xylopyranosyl-L-arabinose is found in fruits.
Arabinopyranobiose
Arabinopyranobiose is found in citrus. Arabinopyranobiose is isolated from partial acid hydrolysates of golden apple (Spondias cytherea), lemon, peach, cherry. Also major disaccharide product from the acid reversion of L-arabinos
2-O-b-D-Xylopyranosyl-L-arabinose
2-O-b-D-Xylopyranosyl-L-arabinose is found in cereals and cereal products. 2-O-b-D-Xylopyranosyl-L-arabinose is isolated from barley husk and corn-cob hemicelluloses. Isolated from barley husk and corn-cob hemicelluloses. 2-O-b-D-Xylopyranosyl-L-arabinose is found in cereals and cereal products.
5,6-Dimethoxyflavone
5,6-Dimethoxyflavone is found in pomes. 5,6-Dimethoxyflavone is isolated from bark of Casimiroa edulis (Mexican apple
N1-methylinosine
1-methylinosine is inosine carrying a methyl substituent at position 1 on the hypoxanthine ring. It has a role as a metabolite. It derives from an inosine. It is a modified nucleotide found at position 37 in tRNA 3 to the anticodon of eukaryotic tRNA. Shown that sequences are forced to adopt a hairpin conformation if one of the central 6 nt is replaced by the corresponding methylated nucleotide, such as 1-methylguanosine. In Vivo synthesis: Inosine-37 in tRNA is synthesised by a hydrolytic deamination-type reaction, catalysed by distinct tRNA:adenosine deaminases. Modified nucleotide found at position 37 in tRNA 3 to the anticodon of eukaryotic tRNA. Shown that sequences are forced to adopt a hairpin conformation if one of the central 6 nt is replaced by the corresponding methylated nucleotide, such as 1-methylguanosine. 1-Methylinosine is a modified nucleotide found at position 37 in tRNA 3' to the anticodon of eukaryotic tRNA[1]. 1-Methylinosine is a modified nucleotide found at position 37 in tRNA 3' to the anticodon of eukaryotic tRNA[1].
12-Hydroxynevirapine
12-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 12-Hydroxynevirapine is a metabolite of Nevirapine. 12-hydroxynevirapine belongs to the family of 1,4-Diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
8-Hydroxynevirapine
8-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 8-Hydroxynevirapine is a metabolite of Nevirapine. 8-hydroxynevirapine belongs to the family of 1,4-Diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
3-Hydroxynevirapine
3-Hydroxynevirapine is only found in individuals that have used or taken Nevirapine. 3-Hydroxynevirapine is a metabolite of Nevirapine. 3-hydroxynevirapine belongs to the family of 1,4-Diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.
3-O-alpha-L-Arabinopyranosyl-L-arabinose
Hydrolysate product from the stem mucilage of Opuntia ficus-indica (Indian fig). 3-O-b-D-Xylopyranosyl-L-arabinose is found in fruits. 3-O-b-D-Xylopyranosyl-L-arabinose is found in fruits. Hydrolysate product from the stem mucilage of Opuntia ficus-indica (Indian fig).
3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione
C16H14N2O3 (282.10043740000003)
3',4'-Dimethoxyflavone
3',4'-Dimethoxyflavone is a lipophilic flavone, can be isolated from the leaves of Primula veris. 3',4'-Dimethoxyflavone can reduce the synthesis and accumulation of PARP and protect cortical neurones against cell death induced by Parthanatos. 3',4'-Dimethoxyflavone is also an aryl hydrocarbon receptor antagonist in human breast cancer cells. 3',4'-Dimethoxyflavone can promote the proliferation of human hematopoietic stem cells. 3',4'-Dimethoxyflavone has various biological activities, including antioxidant, anti-cancer, anti-inflammatory, anti-atherogenic, hypolipidaemic, and neuroprotective or neurotrophic effects[1][2][3][4]. 3',4'-Dimethoxyflavone is a lipophilic flavone, can be isolated from the leaves of Primula veris. 3',4'-Dimethoxyflavone can reduce the synthesis and accumulation of PARP and protect cortical neurones against cell death induced by Parthanatos. 3',4'-Dimethoxyflavone is also an aryl hydrocarbon receptor antagonist in human breast cancer cells. 3',4'-Dimethoxyflavone can promote the proliferation of human hematopoietic stem cells. 3',4'-Dimethoxyflavone has various biological activities, including antioxidant, anti-cancer, anti-inflammatory, anti-atherogenic, hypolipidaemic, and neuroprotective or neurotrophic effects[1][2][3][4].
bendazac
C16H14N2O3 (282.10043740000003)
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-{2-[3-(2-Carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
S,S'-(1,4-Phenylene-bis(1,2-ethanediyl))bis-isothiourea
Vadimezan
C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid D000970 - Antineoplastic Agents
Oxindanac
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
7,4'-Dimethoxyflavone
7,4-dimethoxyflavone is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7,4-dimethoxyflavone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 7,4-dimethoxyflavone can be found in fenugreek, which makes 7,4-dimethoxyflavone a potential biomarker for the consumption of this food product.
3-O-alpha-D-Xylopyranosyl-L-arabinose
Isolated from the autohydrolysate of golden apple (Spondias cytherea), gum, garden cress mucilage and the partial acid hydrolysates of corn hemicelluloses. 3-O-alpha-D-Xylopyranosyl-L-arabinose is found in cereals and cereal products, fruits, and green vegetables.
Multiplolide B
A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2H-oxecin-2-one by the epoxidation of the double bond at position 3-4 and cis-dihydroxylation of the double bond at position 7-8, with further acylation of the hydroxy group at position 8 by a but-2-enoyl group. Multiplolide B was first isolated from the fungus Xylaria multiplex BCC 1111. It shows antifungal activity against Candida albicans. The epoxide group has cis-configuration, but its configuration relative to the other substituents was not established.
(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
4,7-Dimethoxyisoflavone
4',7-Dimethoxyisoflavone is isolated from the leaves of Albizzia lebbeck, which shows antifungal activity[1]. 4',7-Dimethoxyisoflavone is isolated from the leaves of Albizzia lebbeck, which shows antifungal activity[1].
3-Acetyl-8-methoxy-2-methyl-1H-naphtho[2,1-b]pyran-1-one
7,8-Dimethoxyflavone
A dimethoxyflavone that is the 7,8-dimethyl ether derivative of 7,8-dihydroxyflavone.
Chrysin dimethylether
5,7-Dimethoxyflavone is one of the major components of Kaempferia parviflora, has anti-obesity, anti-inflammatory, and antineoplastic effects. 5,7-Dimethoxyflavone inhibits cytochrome P450 (CYP) 3As. 5,7-Dimethoxyflavone is also a potent Breast Cancer Resistance Protein (BCRP) inhibitor[1][2]. 5,7-Dimethoxyflavone is one of the major components of Kaempferia parviflora, has anti-obesity, anti-inflammatory, and antineoplastic effects. 5,7-Dimethoxyflavone inhibits cytochrome P450 (CYP) 3As. 5,7-Dimethoxyflavone is also a potent Breast Cancer Resistance Protein (BCRP) inhibitor[1][2].
Isobonducellin
Isobonducellin is a natural product found in Caesalpinia pulcherrima with data available.
3-(3-chloro-2-hydroxypropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
C14H19ClN2O2 (282.11349839999997)
3-O-alpha-D-xylopyranosyl-L-arabinose|O3-alpha-D-Xylopyranosyl-L-arabinose
3,4-Dimethoxyflavone
3',4'-Dimethoxyflavone is a lipophilic flavone, can be isolated from the leaves of Primula veris. 3',4'-Dimethoxyflavone can reduce the synthesis and accumulation of PARP and protect cortical neurones against cell death induced by Parthanatos. 3',4'-Dimethoxyflavone is also an aryl hydrocarbon receptor antagonist in human breast cancer cells. 3',4'-Dimethoxyflavone can promote the proliferation of human hematopoietic stem cells. 3',4'-Dimethoxyflavone has various biological activities, including antioxidant, anti-cancer, anti-inflammatory, anti-atherogenic, hypolipidaemic, and neuroprotective or neurotrophic effects[1][2][3][4]. 3',4'-Dimethoxyflavone is a lipophilic flavone, can be isolated from the leaves of Primula veris. 3',4'-Dimethoxyflavone can reduce the synthesis and accumulation of PARP and protect cortical neurones against cell death induced by Parthanatos. 3',4'-Dimethoxyflavone is also an aryl hydrocarbon receptor antagonist in human breast cancer cells. 3',4'-Dimethoxyflavone can promote the proliferation of human hematopoietic stem cells. 3',4'-Dimethoxyflavone has various biological activities, including antioxidant, anti-cancer, anti-inflammatory, anti-atherogenic, hypolipidaemic, and neuroprotective or neurotrophic effects[1][2][3][4].
2,3-Dihydroxymethyl-4-(3,4-dimethoxyphenyl)-??-butyrolactone
5-O-alpha-L-Arabinofuranosyl-L-arabinose|O5-alpha-L-Arabinofuranosyl-arabinose
(6R,12R,14R)-(3E,9E)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione|11-Ketonee-Colletodiol|6R,12R,14R-colletoketol|colletoketol|grahamimycin A|Grahamimycin A1
5-hydroxymethyl-9-methoxycanthin-6-one
C16H14N2O3 (282.10043740000003)
7-hydroxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-one
1,5-dimethoxy-2-methy1-9,10-anthraquinone|1,5-Dimethoxy-2-methyl-anthrachinon|1,5-dimethoxy-2-methyl-anthraquinone|2-Methyl-1,5-dimethoxyanthrachinon|Di-Me ether-1,5-Dihydroxy-2-methylanthraquinone|isoziganein dimethyl ether
(Z)-2-(4-hydroxyphenyl)ethenyl-alpha-L-rhamnopyranoside
2-(2,4,6-Trihydroxyphenyl)-5-(E)-propenylbenzofuran
(E)-3-(4-hydroxybenzylidene)-7-methoxychroman-4-one|2,3-dihydro-3-(4-hydroxybenzylidene)-7-methoxy-1-benzopyran-4-one|bonducellin
2-deoxy-4-O-alpha-D-galactopyranosyl-D-glycero-tetronic acid
(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-7-(1-methoxyethyl)naphthalen-1(2H)-one|botryosphaerone C
rel-(7R,8R)-3,4-methylenedioxy-8?,9?-dinor-4?,7-epoxy-8,3?-neolignan-7?-aldehyde
(S)-2-(4-oxo-2-phenylchroman-5-yl)acetic acid|cryptogione A
5-hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromen-4-one
6-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,7-dioxabicyclo-[3.3.0]-octane
7-(3-Acetoxy-phenyl)-hepta-2-en-4,6-diin-1-ol-acetat|7-(m-Acetoxy-phenyl)-heptaen-(2)-diin-(4,6)-ol-(1)-acetat
alpha-(3-Chloro-1-propenyl)-6-(2-penten-4-ynyl)-2,5-dioxabicyclo[2,2,1]heptane-3-ethanol
C15H19ClO3 (282.10226539999996)
5,8-Dioxo-7-methoxy-10-methyl-1,2,5,8-tetrahydrophenanthrene-3-carbaldehyde
(-)-grahamimycin A1|(R,R)-(-)-Grahamimycin A1|grahamimycin|Grahamimycin A1
(E)-1,5-bis(3,4-dihydroxyphenyl)pent-4-en-1-yne|rooperol
3-O-alpha-D-galactopyranosyl-2-C-methylglyceric acid
10-Methoxy-1,2-dihydrophenanthro[3,4-b]furan-2,9-diol
12,13-diacetoxy-tridec-2t-ene-4,6,8,10-tetrayne|Di-Ac-(E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol|Diacetat des trans-Tridecen-(11)-tetrain-(3,5,7,9)-diols-(1,2)|trans-Tridecen-(11)-tetrain-(3.5.7.9)-diol-(1.2)-diacetat
Eutypoid B
A butenolide that is furan-2(5H)-one substituted by a 4-hydroxybenzyl group at position 4 and a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium species.
(E)-4,5,6,7-tetrahydroxy-2-benzylhept-2-enoic acid|drypearmoracein A
1,4-Di Me ether,di-Ac-3,6-Dimethyl-1,2,4,5-benzenetetrol
5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethylchromen-4-one
(3R*,4R*)-3,4-dihydro-3,4,8-trihydroxy-3-(2-hydroxypropyl)-6-methoxynaphthalen-1(2H)-one|balticol E
Succinic acid 1-butyl 4-(5-formyl-2-furylmethyl) ester
Di-Me ether,Me ester-1,3-Dihydro-3,7-dihydroxy-5-methoxy-6-methyl-4-isobenzofurancarboxylic acid
Ellipticine
Ellipticine (NSC 71795) hydrochloride is a potent antineoplastic agent; inhibits DNA topoisomerase II activities. Ellipticine (NSC 71795) hydrochloride is a potent antineoplastic agent; inhibits DNA topoisomerase II activities.
KBio2_006313
4,7-Dimethoxyisoflavone is a natural product found in Myroxylon peruiferum, Ateleia herbert-smithii, and other organisms with data available. 4',7-Dimethoxyisoflavone is isolated from the leaves of Albizzia lebbeck, which shows antifungal activity[1]. 4',7-Dimethoxyisoflavone is isolated from the leaves of Albizzia lebbeck, which shows antifungal activity[1].
5,7-Dimethoxyflavone
Chrysin 5,7-dimethyl ether is a dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. It has a role as a plant metabolite. It is functionally related to a chrysin. 5,7-Dimethoxyflavone is a natural product found in Anaphalis busua, Helichrysum herbaceum, and other organisms with data available. 5,7-Dimethoxyflavone is found in tea. 5,7-Dimethoxyflavone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). 5,7-Dimethylchrysin is found in tea. A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. 5,7-Dimethoxyflavone is one of the major components of Kaempferia parviflora, has anti-obesity, anti-inflammatory, and antineoplastic effects. 5,7-Dimethoxyflavone inhibits cytochrome P450 (CYP) 3As. 5,7-Dimethoxyflavone is also a potent Breast Cancer Resistance Protein (BCRP) inhibitor[1][2]. 5,7-Dimethoxyflavone is one of the major components of Kaempferia parviflora, has anti-obesity, anti-inflammatory, and antineoplastic effects. 5,7-Dimethoxyflavone inhibits cytochrome P450 (CYP) 3As. 5,7-Dimethoxyflavone is also a potent Breast Cancer Resistance Protein (BCRP) inhibitor[1][2].
3,4-DMF
3,4-Dimethoxyflavone is a natural product found in Lawsonia inermis and Primula veris with data available. 3',4'-Dimethoxyflavone is a lipophilic flavone, can be isolated from the leaves of Primula veris. 3',4'-Dimethoxyflavone can reduce the synthesis and accumulation of PARP and protect cortical neurones against cell death induced by Parthanatos. 3',4'-Dimethoxyflavone is also an aryl hydrocarbon receptor antagonist in human breast cancer cells. 3',4'-Dimethoxyflavone can promote the proliferation of human hematopoietic stem cells. 3',4'-Dimethoxyflavone has various biological activities, including antioxidant, anti-cancer, anti-inflammatory, anti-atherogenic, hypolipidaemic, and neuroprotective or neurotrophic effects[1][2][3][4]. 3',4'-Dimethoxyflavone is a lipophilic flavone, can be isolated from the leaves of Primula veris. 3',4'-Dimethoxyflavone can reduce the synthesis and accumulation of PARP and protect cortical neurones against cell death induced by Parthanatos. 3',4'-Dimethoxyflavone is also an aryl hydrocarbon receptor antagonist in human breast cancer cells. 3',4'-Dimethoxyflavone can promote the proliferation of human hematopoietic stem cells. 3',4'-Dimethoxyflavone has various biological activities, including antioxidant, anti-cancer, anti-inflammatory, anti-atherogenic, hypolipidaemic, and neuroprotective or neurotrophic effects[1][2][3][4].
2,5-Dimethoxyflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.226
Methyl 4,6-O-benzylidene-α-D-glucopyranoside
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.717 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.718
3,9-dimethoxy-6H-[1]benzofuro[3,2-c]chromene
C11H14N4O5_6H-Purin-6-one, 1,9-dihydro-9-(3-O-methylpentofuranosyl)
C14H18O6_Heptonic acid, 4,7-anhydro-2-deoxy-7-C-phenyl-, methyl ester
2-O-Methylinosine
Inosine carrying a methyl substituent on the hydroxy group at position 2 on the ribose ring. 9-((2R,3R,4R,5R)-4-Hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)-9H-purin-6-ol (2'-O-methylinosine) is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate
Di(2-methoxyethyl) phthalate
CONFIDENCE standard compound; INTERNAL_ID 397; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7846; ORIGINAL_PRECURSOR_SCAN_NO 7843 CONFIDENCE standard compound; INTERNAL_ID 397; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7826; ORIGINAL_PRECURSOR_SCAN_NO 7822 CONFIDENCE standard compound; INTERNAL_ID 397; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7851; ORIGINAL_PRECURSOR_SCAN_NO 7849
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate_0.5\\%
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate_major
1-Methylinosine
Inosine carrying a methyl substituent at position 1 on the hypoxanthine ring. 1-Methylinosine is a modified nucleotide found at position 37 in tRNA 3' to the anticodon of eukaryotic tRNA[1]. 1-Methylinosine is a modified nucleotide found at position 37 in tRNA 3' to the anticodon of eukaryotic tRNA[1].
12-Hydroxynevirapine
A dipyridodiazepine that is nevirapine in which one of the hydrogens of the methyl group has been substituted by a hydroxy group. It is a metabolite of the anti-HIV drug, nevirapine.
2-Hydroxynevirapine
8-Hydroxynevirapine
3-Hydroxynevirapine
Arabinofuranobiose
3-benzyl-4-hydroxy-5-(4-hydroxyphenyl)furan-2(5H)-one
4-Methyl-n3-(4-pyridin-3-yl-thiazol-2-yl)-benzene-1,3-diamine
bis(2,3-epoxypropyl) cyclohex-4-ene-1,2-dicarboxylate
METHYL 7-(BENZYLOXY)-1H-INDAZOLE-3-CARBOXYLATE
C16H14N2O3 (282.10043740000003)
Methyl 5-(benzyloxy)-1H-indazole-3-carboxylate
C16H14N2O3 (282.10043740000003)
(7R,9AR)-TERT-BUTYL7-(AMINOMETHYL)HEXAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-2(6H)-CARBOXYLATE
C16H14N2O3 (282.10043740000003)
Trimethylsilyl p-(trimethylsilyloxy)benzoate
7-(benzyloxy)-6-methoxyquinazolin-4-ol
C16H14N2O3 (282.10043740000003)
4-(4-METHYLPIPERAZIN-1-YL)-3-(METHYLSULFONYL)BENZALDEHYDE
tert-butyl 2-chloro-5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylate
C14H19ClN2O2 (282.11349839999997)
2-(PIPERIDIN-1-YLCARBONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE HYDROCHLORIDE
C14H19ClN2O2 (282.11349839999997)
2-[(2-CARBOMETHOXYPHENOXY)METHYL]-BENZIMIDAZOLE
C16H14N2O3 (282.10043740000003)
5(6)-carbethoxy-2-(4-hydroxyphenyl)-benzimidazole
C16H14N2O3 (282.10043740000003)
2-(4-AMino-2-ethoxyphenyl)pthaliMide
C16H14N2O3 (282.10043740000003)
4-Boc-9-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
C14H19ClN2O2 (282.11349839999997)
4-Boc-8-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
C14H19ClN2O2 (282.11349839999997)
4-Boc-7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
C14H19ClN2O2 (282.11349839999997)
3-(Methylsulfonyl)phenylboronic Acid Pinacol Ester
[4-[Bis(2-hydroxyethyl)amino]phenyl]-1,1,2-ethylenetricarbonitrile
4-(4-METHYLPIPERAZIN-1-YL)-2-(METHYLSULFONYL)BENZALDEHYDE
Methyl 6-(benzyloxy)-1H-indazole-3-carboxylate
C16H14N2O3 (282.10043740000003)
6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetate,methyl ester
TRIMETHYLSILYL TRIMETHYLSILOXY SALICYLATE
ETHYL 2-CHLORO-2-[2-(4-TERT-BUTYLPHENYL)HYDRAZONO] ACETATE
C14H19ClN2O2 (282.11349839999997)
a-D-Mannopyranoside, methyl4,6-O-(phenylmethylene)-
Ethyl 4-(1,3-benzoxazol-2-ylamino)benzoate
C16H14N2O3 (282.10043740000003)
(1-BENZYL-1H-IMIDAZOL-2-YL)METHANOL
C16H14N2O3 (282.10043740000003)
4,4,5,5-TETRAMETHYL-2-(4-(METHYLSULFONYL)PHENYL)-1,3,2-DIOXABOROLANE
Trilithium citrate tetrahydrate
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Lithium citrate (Litarex) tetrahydrate is the major active ingredient of Garcinia cambogia. Lithium citrate tetrahydrate competitively inhibits ATP citrate lyase with weight loss benefits. Lithium citrate tetrahydrate effective inhibits stones formation and also inhibits HIF, and has antioxidation, anti-inflammation and anti-tumor effects[1][2][3][4]. Lithium citrate (Litarex) tetrahydrate is the major active ingredient of Garcinia cambogia. Lithium citrate tetrahydrate competitively inhibits ATP citrate lyase with weight loss benefits. Lithium citrate tetrahydrate effective inhibits stones formation and also inhibits HIF, and has antioxidation, anti-inflammation and anti-tumor effects[1][2][3][4]. Lithium citrate (Litarex) tetrahydrate is the major active ingredient of Garcinia cambogia. Lithium citrate tetrahydrate competitively inhibits ATP citrate lyase with weight loss benefits. Lithium citrate tetrahydrate effective inhibits stones formation and also inhibits HIF, and has antioxidation, anti-inflammation and anti-tumor effects[1][2][3][4]. Lithium citrate (Litarex) tetrahydrate is the major active ingredient of Garcinia cambogia. Lithium citrate tetrahydrate competitively inhibits ATP citrate lyase with weight loss benefits. Lithium citrate tetrahydrate effective inhibits stones formation and also inhibits HIF, and has antioxidation, anti-inflammation and anti-tumor effects[1][2][3][4].
2-(3-FORMYL-INDOL-1-YL)-N-FURAN-2-YLMETHYL-ACETAMIDE
C16H14N2O3 (282.10043740000003)
(2-Methyl sulfonyl penyl)boronic acid pinacol ester
Methyl 4-(benzyloxy)pyrazolo[1,5-a]pyridine-3-carboxylate
C16H14N2O3 (282.10043740000003)
METHYL 1-(2-ETHOXYETHYL)-4,5,6,7-TETRAHYDRO-5,7-DIOXO-1H-PYRAZOLO[4,3-D]PYRIMIDINE-3-CARBOXYLATE
3-oxo-3-(2,3,4-trimethoxyphenyl)propionic acid ethyl ester
8-Aminoadenosine
8-Aminoadenosine (8-NH2-Ado), a RNA-directed nucleoside analogue, reduces cellular ATP levels and inhibits mRNA synthesis. 8-Aminoadenosine blocks Akt/mTOR signaling and induces autophagy and apoptosis in a p53-independent manner. 8-Aminoadenosine has antitumor activity[1][2][3]. 8-Aminoadenosine (8-NH2-Ado), a RNA-directed nucleoside analogue, reduces cellular ATP levels and inhibits mRNA synthesis. 8-Aminoadenosine blocks Akt/mTOR signaling and induces autophagy and apoptosis in a p53-independent manner. 8-Aminoadenosine has antitumor activity[1][2][3].
5-Amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-methoxyphenyl)-5-phenylimidazolidine-2,4-dione
C16H14N2O3 (282.10043740000003)
1,3,4-Oxadiazole,2,5-bis(3-methoxyphenyl)-
C16H14N2O3 (282.10043740000003)
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
2-(4-Methylpiperazin-1-yl)-4-(methylsulfonyl)benzaldehyde
ETHYL 6,6-DIMETHYL-3-HYDRAZINO-4-OXO-4,5,6,7-TETRAHYDROBENZO(C)THIOPHENE-1-CARBOXYLATE, TECH.
7-methoxy-6-phenylmethoxy-1H-quinazolin-4-one
C16H14N2O3 (282.10043740000003)
1-(3-Nitro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone
C16H14N2O3 (282.10043740000003)
1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[(4-Methoxyphenyl)Methyl]-
C16H14N2O3 (282.10043740000003)
1-ethyl-3-methylimidazol-3-ium,4-methylbenzenesulfonate
N-(4-methoxybenzyl)-3-(trifluoromethyl)pyridin-2-amine
4-Methyl-N3-[4-(3-pyridinyl)-1,3-thiazol-2-yl]-1,3-benzenediamine
METHYL 5-(BENZYLOXY)PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE
C16H14N2O3 (282.10043740000003)
Methyl alpha-D-ribofuranoside 5-(4-methylbenzoate)
(E)-4-((3-(pyridin-3-yl)acrylaMido)Methyl)benzoic acid
C16H14N2O3 (282.10043740000003)
(2Z)-6-Hydroxy-2-(4-methoxybenzylidene)-7-methyl-1-benzofuran-3(2H)-one
METHYL 5-OXO-2,3,5,6-TETRAHYDRO-1H-INDOLIZINO[6,7-B]INDOLE-11-CARBOXYLATE
C16H14N2O3 (282.10043740000003)
2-(2-ETHOXY-BENZYLIDENE)-6-HYDROXY-BENZOFURAN-3-ONE
methyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
2-Chloro-1-[[2-(triMethylsilanyl)ethoxy]Methyl]-benzimidazole
C13H19ClN2OSi (282.09551139999996)
Methyl-4-(4-chloro-1-oxobutyl)-alpha
C15H19ClO3 (282.10226539999996)
2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
C16H14N2O3 (282.10043740000003)
ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate
5-[(4-Methylphenyl)sulfanyl]-2,4-quinazolinediamine
1-{2-Oxo-3-[(1r)-1-(1h-Pyrrol-2-Yl)ethyl]-2h-Indol-5-Yl}urea
6-O-Methylinosine
Inosine carrying a methyl substituent on the oxygen at position 6 on the hypoxanthine ring.
7-Hydroxy-3-(4-methoxyphenyl)-4-methylchromen-2-one
N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide
C16H14N2O3 (282.10043740000003)
4-(2,5-dimethylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Benzyl 3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
C16H14N2O3 (282.10043740000003)
3-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylpropanamide
C16H14N2O3 (282.10043740000003)
Ethyl 4-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
4-Morpholineacetic acid, (5-nitrofurfurylidene)hydrazide
3-(9-Oxo-9,10-dihydroacridine-2-yl)alanine
C16H14N2O3 (282.10043740000003)
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, propyl ester
C16H14N2O3 (282.10043740000003)
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, 1-methylethyl ester
C16H14N2O3 (282.10043740000003)
Methyl 5-diethoxyphosphoryl-2-hydroxy-4-oxopentanoate
1H-Pyrimido[1,2-a]quinoline-2-acetic acid, 1-oxo-, ethyl ester
C16H14N2O3 (282.10043740000003)
3-[(4-Cyanobiphenyl-4-Yl)oxy]-N-Hydroxypropanamide
C16H14N2O3 (282.10043740000003)
4-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-tetrahydro-pyran-2,3,5-triol
Bendazac
C16H14N2O3 (282.10043740000003)
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
38763_FLUKA
4',7-Dimethoxyisoflavone is isolated from the leaves of Albizzia lebbeck, which shows antifungal activity[1]. 4',7-Dimethoxyisoflavone is isolated from the leaves of Albizzia lebbeck, which shows antifungal activity[1].
Xylobiose
Xylobiose is a glycosylxylose that is D-xylopyranose having a beta-D-xylopyranosyl residue attached at position 4 via a glycosidic bond. It has a role as a bacterial metabolite. Xylobiose is a natural product found in Streptomyces ipomoeae, Chlamydomonas reinhardtii, and Streptomyces rameus with data available. A glycosylxylose that is D-xylopyranose having a beta-D-xylopyranosyl residue attached at position 4 via a glycosidic bond. Major or sole repeating unit in the main xylan chains of the plant xylans, arabinoxylans and glucuronoxylans. Isolated from Scotch pine (Pinus sylvestris). Xylobiose (1,4-β-D-Xylobiose; 1,4-D-Xylobiose) is a disaccharide?of?xylose?monomers with a β-1, 4 bond between monomers[1].
5-(3,5-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
C16H14N2O3 (282.10043740000003)
N-[4-oxo-2-(2-pyridinyl)-1,2-dihydroquinazolin-3-yl]acetamide
N-(3,4-dimethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
C16H14N2O3 (282.10043740000003)
3-(2-Ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylacetamide
C16H14N2O3 (282.10043740000003)
2-(2-Furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide
C16H14N2O3 (282.10043740000003)
1-[2-(2,5-Dimethylpyrrol-1-yl)-4-nitrophenyl]imidazole
4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-uran-5-one
2,6-diamino-4-(1-phenylethyl)-4H-thiopyran-3,5-dicarbonitrile
5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamide
N-(4-ethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
C16H14N2O3 (282.10043740000003)
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-2-thiophenecarboxamide
1-(3,4-Dihydroxyphenyl)-2-(2-methyl-1-benzimidazolyl)ethanone
C16H14N2O3 (282.10043740000003)
3-[(E)-3-anilino-3-oxoprop-1-enyl]-N-hydroxybenzamide
C16H14N2O3 (282.10043740000003)
4-(1-phenylethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
2-(4-Morpholinyl)-10-pyridazino[6,1-b]quinazolinone
N-cyano-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidamide
2-[3-[(3,3-Dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl]acetic acid
9-[(2R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1H-purin-6-one
Vadimezan
C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid D000970 - Antineoplastic Agents
3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid
3'-Azido-3'-deoxy-5-methylcytidine
3'-Azido-3'-deoxy-5-methylcytidine (CS-92) is a potent xenotropic murine leukemia-related retrovirus (XMRV) inhibitor with a CC50 of 43.5 μM in MCF-7 cells. 3'-Azido-3'-deoxy-5-methylcytidine also inhibits HIV-1 reverse transcriptase with an EC50 of 0.06 μM in peripheral blood mononuclear (PBM) cells[1]. 3'-Azido-3'-deoxy-5-methylcytidine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
(6s)-8-bromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
6-(2-hydroxy-3-methoxy-5-oxofuran-2-yl)-1,3,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-one
3-(hydroxymethyl)-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
C16H14N2O3 (282.10043740000003)
3-ethoxy-5-hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-3h-2-benzofuran-1-one
(2r,3r,4r,5r,6s)-2-{[(1z)-2-(4-hydroxyphenyl)ethenyl]oxy}-6-methyloxane-3,4,5-triol
(2r,3r,4s,5r)-4-{[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}oxane-2,3,5-triol
(1's,2s,3's,6'r,7'r,9'r)-6'-hydroxy-3-methoxy-3',7',9'-trimethyl-5',8'-dioxaspiro[furan-2,4'-tricyclo[4.2.1.0³,⁷]nonan]-5-one
2-[5-(prop-1-en-1-yl)-1-benzofuran-2-yl]benzene-1,3,5-triol
(3s)-3-(hydroxymethyl)-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
C16H14N2O3 (282.10043740000003)
2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-benzofuran-5-carbaldehyde
methyl 4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxybutanoate
(2r,3r,4s,5s)-4-{[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}oxane-2,3,5-triol
[(2r)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-yl](methylsulfanyl)methanone
4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acid
7-methoxy-10-methyl-5,8-dioxo-1,2-dihydrophenanthrene-3-carbaldehyde
5-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxolane-2,3,4-triol
(3ar,4z,7ar)-4-[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-3a,7a-dihydro-3h-1-benzofuran-2,5-dione
(2s,11e)-1-(acetyloxy)tridec-11-en-3,5,7,9-tetrayn-2-yl acetate
(2e)-7-[3-(acetyloxy)phenyl]hept-2-en-4,6-diyn-1-yl acetate
(1s,4r,6r,7r,8e,10s)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl (2e)-but-2-enoate
2,3-dihydroxy-6-methylanthraquinone; di-me ether
{"Ingredient_id": "HBIN004051","Ingredient_name": "2,3-dihydroxy-6-methylanthraquinone; di-me ether","Alias": "NA","Ingredient_formula": "C17H14O4","Ingredient_Smile": "NA","Ingredient_weight": "282.29","OB_score": "NA","CAS_id": "105706-01-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8935","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydroxymethyl-4-(3',4'-dimethoxyphenyl)-γ-butyrolactone
{"Ingredient_id": "HBIN004053","Ingredient_name": "2,3-dihydroxymethyl-4-(3',4'-dimethoxyphenyl)-\u03b3-butyrolactone","Alias": "NA","Ingredient_formula": "C14H18O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15124","TCMID_id": "6028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(Acetoxymethyl)-3-(methoxycarbonyl)biphenylene
{"Ingredient_id": "HBIN005114","Ingredient_name": "2-(Acetoxymethyl)-3-(methoxycarbonyl)biphenylene","Alias": "methyl 3-(acetyloxymethyl)biphenylene-2-carboxylate; 3-(acetoxymethyl)biphenylene-2-carboxylic acid methyl ester; 3-(acetoxymethyl)-2-biphenylenecarboxylic acid methyl ester; Methyl 3-[(acetyloxy)methyl]-2-biphenylenecarboxylate; methyl 3-(acetoxymethyl)biphenylene-2-carboxylate","Ingredient_formula": "C17H14O4","Ingredient_Smile": "CC(=O)OCC1=CC2=C(C=C1C(=O)OC)C3=CC=CC=C32","Ingredient_weight": "282.29 g/mol","OB_score": "27.99754814","CAS_id": "NA","SymMap_id": "SMIT04752","TCMID_id": "NA","TCMSP_id": "MOL002533","TCM_ID_id": "NA","PubChem_id": "610255","DrugBank_id": "NA"}
7-Bromodecahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
{"Ingredient_id": "HBIN013128","Ingredient_name": "7-Bromodecahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene","Alias": "NA","Ingredient_formula": "C15H23Br","Ingredient_Smile": "CC1(C(CCC2(C3C1C(C2=C)CC3)C)Br)C","Ingredient_weight": "283.25","OB_score": "8.682644105","CAS_id": "24503-54-6","SymMap_id": "SMIT13506","TCMID_id": "NA","TCMSP_id": "MOL012775","TCM_ID_id": "NA","PubChem_id": "608959","DrugBank_id": "NA"}
(6r,8s)-8-bromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
(4r,6s)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene
2-{5-[(1e)-prop-1-en-1-yl]-1-benzofuran-2-yl}benzene-1,3,5-triol
(3s)-4-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acid
(3ar,4z,7as)-4-[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-3a,7a-dihydro-3h-1-benzofuran-2,5-dione
7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl but-2-enoate
(2e,4s,5r,6s)-2-benzyl-4,5,6,7-tetrahydroxyhept-2-enoic acid
2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione
{5-[(1s)-1-hydroxyethyl]-4-methoxy-2-oxopyran-3-yl}methyl 3-methylbut-2-enoate
12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
C16H14N2O3 (282.10043740000003)
3,6,10-trimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1,5,7,9(16),10-pentaene-4,12-dione
C16H14N2O3 (282.10043740000003)
5-hydroxy-2-(4-hydroxy-3-methylphenyl)-7-methylchromen-4-one
3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
C16H14N2O3 (282.10043740000003)
2-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]oxane-3,4,5-triol
[5-(1-hydroxyethyl)-4-methoxy-2-oxopyran-3-yl]methyl 3-methylbut-2-enoate
(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 2-phenylacetate
(6r,8r)-8-bromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene
(2r,3s,4e,7s)-7-hydroxy-2-methyl-6,10-dioxo-3,7,8,9-tetrahydro-2h-oxecin-3-yl (2e)-but-2-enoate
(2r,3r,4s,5r)-2-{[(2s,3r,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol
2-hydroxyethyl (2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
10-(hydroxymethyl)-14,16-dioxatetracyclo[9.7.0.0²,⁷.0¹³,¹⁷]octadeca-1(18),2,4,6,9,11,13(17)-heptaen-5-ol
(3e,6s,9e,11s,14s)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione
(1r,3r,4s,6s)-6-[(2s)-2-hydroxy-3-methoxy-5-oxofuran-2-yl]-1,3,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-one
7-[3-(acetyloxy)phenyl]hept-2-en-4,6-diyn-1-yl acetate
(2r,6s,11s)-11-phenyl-5,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),7-diene-4,13-dione
9-[(2r,3r,4s,5r)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-3h-purin-6-ol
(2r,3r,4s)-2,3,5-trihydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentanal
(2s,3r,4s,5s)-2-{[(2s,3r,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol
(3e)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2h-1-benzopyran-4-one
(3s)-3-ethoxy-5-hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-3h-2-benzofuran-1-one
(1s,4r,6r,7s,8e,10s)-7-hydroxy-4-methyl-2-oxo-3,11-dioxabicyclo[8.1.0]undec-8-en-6-yl (2e)-but-2-enoate
1-(acetyloxy)tridec-11-en-3,5,7,9-tetrayn-2-yl acetate
(2r,3s,4s)-2,4,5-trihydroxy-3-{[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}pentanal
4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene
2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-3,4,5-triol
(3e)-3-[(4-hydroxyphenyl)methylidene]-7-methoxy-2h-1-benzopyran-4-one
(5s)-4-benzyl-5-hydroxy-3-(4-hydroxyphenyl)-5h-furan-2-one
6-(2-butyl-4-hydroxy-5-oxooxolan-2-yl)-4-methoxypyran-2-one
methyl 6-[(1r)-1-hydroxyethyl]phenazine-1-carboxylate
C16H14N2O3 (282.10043740000003)
(2s)-2-hydroxy-1-(4-hydroxy-1-benzofuran-5-yl)-3-phenylpropan-1-one
(2e)-2-benzyl-4,5,6,7-tetrahydroxyhept-2-enoic acid
5-hydroxy-7-methoxy-8-methyl-2-phenylchromen-4-one
(2s,3r,4r,5s)-5-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxolane-2,3,4-triol
7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2h-1-benzopyran-4-one
methyl (3r)-3-[(2s,3s,4s,5r)-3,4-dihydroxy-5-phenyloxolan-2-yl]-3-hydroxypropanoate
3,4,5-trihydroxy-6-methyloxan-2-yl 2-phenylacetate
(2s,3r,4s,5s,6r)-2-(4-ethenylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
[4-hydroxy-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-yl](methylsulfanyl)methanone
2-(4-ethenylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3s,4r,5r)-2-(4-ethenylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
7-hydroxy-2-methyl-6,10-dioxo-3,7,8,9-tetrahydro-2h-oxecin-3-yl but-2-enoate
6-[(2r,4r)-2-butyl-4-hydroxy-5-oxooxolan-2-yl]-4-methoxypyran-2-one
2-hydroxyethyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
(2r,3r,4r,5r,6s)-2-{[(1e)-2-(4-hydroxyphenyl)ethenyl]oxy}-6-methyloxane-3,4,5-triol
2,4,5-trihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentanal
9-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-3h-purin-6-ol
6-hydroxy-2-(2-hydroxy-2-phenylethyl)chromen-4-one
(3r,4r)-3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
C16H14N2O3 (282.10043740000003)
(4s,6r)-4-bromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene
4-[5-(3,4-dihydroxyphenyl)pent-4-en-1-yn-1-yl]benzene-1,2-diol
(3ar,7ar)-4-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-3a,7a-dihydro-3h-1-benzofuran-2,5-dione
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 2-phenylacetate
4-[(4e)-5-(3,4-dihydroxyphenyl)pent-4-en-1-yn-1-yl]benzene-1,2-diol
6-(1-methoxyethyl)phenazine-1-carboxylic acid
C16H14N2O3 (282.10043740000003)