Exact Mass: 372.0845136
Exact Mass Matches: 372.0845136
Found 500 metabolites which its exact mass value is equals to given mass value 372.0845136,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tangeritin
Isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutical. Tangeritin is found in many foods, some of which are apple, broccoli, sweet bay, and tea. Tangeritin is found in apple. Tangeritin is isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutica Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor.
Sinensetin
Sinensetin is a pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3 and 4 respectively. It has a role as a plant metabolite. It is functionally related to a flavone. Sinensetin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3 and 4 respectively. Sinensetin is found in citrus. Sinensetin is found in orange peel and other plant sources. Found in orange peel and other plant sources Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties. Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties.
Dothistromin
Sesamolinol
Sesamolinol is found in cereals and cereal products. Sesamolinol is isolated from sesame seeds (Sesamum indicum). Isolated from sesame seeds (Sesamum indicum). Sesamolinol is found in cereals and cereal products and sesame.
QUIZALOFOP-ETHYL
CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10197; ORIGINAL_PRECURSOR_SCAN_NO 10195 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10169; ORIGINAL_PRECURSOR_SCAN_NO 10168 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10194; ORIGINAL_PRECURSOR_SCAN_NO 10192 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10142; ORIGINAL_PRECURSOR_SCAN_NO 10140 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10217; ORIGINAL_PRECURSOR_SCAN_NO 10216 ORIGINAL_ACQUISITION_NO 10194; CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 10192 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10226; ORIGINAL_PRECURSOR_SCAN_NO 10224 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Averantin
A tetrahydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxyhexyl substituent at position 2.
Isosinensetin
Isosinensetin is an ether and a member of flavonoids. Isosinensetin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Isolated from Citrus subspecies and the round kumquat (Fortunella japonica). Isosinensetin is found in sweet orange, citrus, and fruits. Isosinensetin is found in citrus. Isosinensetin is isolated from Citrus species and the round kumquat (Fortunella japonica). Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2]. Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2].
Tricetin Pentamethyl Ether
3,4,5,5,7-Pentamethoxyflavone is a natural product found in Ficus maxima, Ficus formosana, and other organisms with data available. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
Gomphidic acid
Gomphidic acid is found in mushrooms. Gomphidic acid is a pigment from the lichen Gomphidius glutinosus (spike cap). Pigment from the lichen Gomphidius glutinosus (spike cap). Gomphidic acid is found in mushrooms.
Auranetin
Auranetin is found in citrus. Auranetin is isolated from orange peel (Citrus aurantium Isolated from orange peel (Citrus aurantium). Auranetin is found in citrus.
Oxidihydroartocarpesin
Oxidihydroartocarpesin is found in fruits. Oxidihydroartocarpesin is isolated from Artocarpus heterophyllus (jackfruit). Isolated from Artocarpus heterophyllus (jackfruit). Oxidihydroartocarpesin is found in jackfruit and fruits.
Veranisatin C
Veranisatin C is found in fruits. Veranisatin C is a constituent of Illicium verum (Chinese star anise)
Cyclokievitone hydrate
Cyclokievitone hydrate is found in gram bean. Cyclokievitone hydrate is isolated from Phaseolus mungo (black gram).
Homoeriodictyol 4'-isobutyrate
Homoeriodictyol 4-isobutyrate is found in beverages. Homoeriodictyol 4-isobutyrate is isolated from Eriodictyon californicum (yerba santa). Isolated from Eriodictyon californicum (yerba santa). Homoeriodictyol 4-isobutyrate is found in beverages.
3',4',5',7,8-Pentamethoxyflavone
3,4,5,7,8-Pentamethoxyflavone is found in fruits. 3,4,5,7,8-Pentamethoxyflavone is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 3,4,5,7,8-Pentamethoxyflavone is found in fruits.
Dihydroferulic acid 4-O-glucuronide
Dihydroferulic acid 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3,4',5,6,8-Pentamethoxyflavone
3,4,5,6,8-Pentamethoxyflavone is found in citrus. 3,4,5,6,8-Pentamethoxyflavone is a constituent of Citrus reticulata (mandarin) leaves. Constituent of Citrus reticulata (mandarin) leaves. 3,4,5,6,8-Pentamethoxyflavone is found in citrus.
Sulindac sulfone
Sulindac sulfone is a metabolite of sulindac. Sulindac is a non-steroidal anti-inflammatory drug of the arylalkanoic acid class that is marketed in the UK & U.S. by Merck as Clinoril. (Wikipedia)
Pamoic acid
Pamoic acid, also known as pamoate, belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. Pamoic acid is considered to be a practically insoluble (in water) and relatively neutral molecule.
Dihydroisoferulic acid 3-glucuronide
3',4',5',5,7-Pentamethoxyflavone
3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
Glafenine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
Hydroxypioglitazone
C19H20N2O4S (372.11437200000006)
C78272 - Agent Affecting Nervous System
Quercetin pentamethyl ether
3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1]. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1].
2-(3,4-Dihydroxyphenyl)-3,5,7-trimethoxy-6,8-dimethylchromen-4-one
7-Oxomatairesinol
7-oxomatairesinol is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. 7-oxomatairesinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-oxomatairesinol can be found in sesame, which makes 7-oxomatairesinol a potential biomarker for the consumption of this food product.
Edetate disodium
Preservative and sequestrant in foods. Ethylenediaminetetraacetic acid, widely abbreviated as EDTA, is a polyamino carboxylic acid and a colourless, water-soluble solid. Its conjugate base is named ethylenediaminetetraacetate. It is widely used to dissolve limescale. Its usefulness arises because of its role as a hexadentate (six-toothed") ligand and chelating agent Preservative and sequestrant in foods
5-Demethoxynobiletin
5-demethoxynobiletin, also known as 34678-pentamethoxyflavone, is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 5-demethoxynobiletin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5-demethoxynobiletin can be found in winter savory, which makes 5-demethoxynobiletin a potential biomarker for the consumption of this food product.
Tangeritin
Tangeretin is a pentamethoxyflavone flavone with methoxy groups at positions 4, 5, 6 , 7 and 8. It has a role as an antineoplastic agent and a plant metabolite. Tangeretin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutical. Tangeritin is found in many foods, some of which are apple, broccoli, sweet bay, and tea. Tangeritin is found in apple. Tangeritin is isolated from tangerine peel and Fortunella japonica (round kumquat). Potential nutriceutica A pentamethoxyflavone flavone with methoxy groups at positions 4, 5, 6 , 7 and 8. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor.
Norstictic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5,7-Dihydroxy-3-(4-hydroxyphenyl)-6-(2,3-dihydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
5,7,3,4-Tetrahydroxy-5-(2-epoxy-3-methylbutyl)isoflavanone
5-Hydroxy-3,4,5-trimethoxy-6,7-methylenedioxyisoflavone
Lophirone I
4-Hydroxy-5,6,7-trimethoxy-3-(3,4-methylenedioxy)phenylcoumarin
7-Hydroxy-3,5,8-trimethoxy-3,4-methylenedioxyflavone
5-Hydroxy-3,7,8-trimethoxy-3,4-methylenedioxyflavone
2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
3,4-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
3,5,7,4-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone
5,4-Dihydroxy-3,7,3-trimethoxy-6,8-dimethylflavone
Noricaritin
Noricaritin is a natural product found in Phellodendron amurense with data available. Noricaritin is a flavonoid sourced from roots of Epimedium brevicornu Maxim. Noricaritin is a flavonoid sourced from roots of Epimedium brevicornu Maxim.
Isosinensetin
Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2]. Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2].
Kievitol
5,7,3,4,5-pentamethoxyflavone
3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
Sinensetin
Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties. Sinensetin is a methylated flavonoid found in fruits that has strong anti-vascular and anti-inflammatory properties.
Tangeretin
Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor. Tangeretin (Tangeritin), a flavonoid from citrus fruit peels, has been proven to play an important role in anti-inflammatory responses and neuroprotective effects in several disease models, and is a Notch-1 inhibitor.
glafenine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
Mefenpyr-diethyl
C16H18Cl2N2O4 (372.06435680000004)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3169
Quercetin pentamethyl ether
3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1]. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1].
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5,5,7-Pentamethoxyflavone
3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1]. 3',4',5',5,7-Pentamethoxyflavone, a natural flavonoid extracted from Rutaceae plants, sensitizes chemoresistant cancer cells to chemotherapeutic agents by inhibition of Nrf2 pathway[1].
3,6-Bis(3-methoxy-4-hydroxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
5aH-6,11:11,13a-Diepoxy-10,11,12,13-tetrahydro-1,5a,10-trihydroxy-9-methylcyclodeca[b]naphthalene-5,7,14(6H)-trione
(3S,5S,6aS,8S,10aR)-5-(furan-3-yl)-4,5,6,6a,8,9-hexahydro-8-hydroxy-8-methylspiro[furan-3(2H),7,(10H)-[1H]naphtho[1,8a-c]furan]-2,3,10(5H)-trionekinalborin A
(+)-4,5,5,7-tetra-O-methyl-2,3-trans-crombeone|Crombeontetramethylether
(7R,8S,8S)-3,4,3,4-dimethylenedioxy-8,9-dihydroxy-8.8,7-O-9-lignan|dihydropaulowin|mandshuricol A
1,2,3,7,8-Pentamethoxy-6-methylanthracene-9,10-dione
5,5,6,6-Tetrahydro-6,6-cyclo-5,5-bi[7H-furo[3,2-g][1]benzopyran]-7,7-dione
3beta-chloro-8alpha-acetoxy-4alpha,10alpha-dihydroxy-1alpha,2alpha-epoxy-5alpha,7alphaH-guai-11(13)-en-12,6alpha-olide
C17H21ClO7 (372.09757460000003)
4,5-[Oxy(3,6-dimethyl-5-methoxy-1,2-phenylene)carbonyloxy]-6-methyl-3,7-dihydroxyisobenzofuran-1(3H)-one
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
2,4,6,beta-tetramethoxy-3,4-methylenedioxychalcone
2(S)-5,7-dihydroxy-[2,2-(3,4-dihydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
9,10-dihydro-6-hydroxy-5,7,8-trimethoxy-9,10-dioxoanthracen-2-yl acetate
5,7,2,4-tetrahydroxy-3-(3-hydroxy-3-methylbutyl)flavone|artotonin B
1,6-diacetoxy-2,8-dimethoxy-xanthen-9-one|3,8-Diacetoxy-1,7-dimethoxyxanthon (Isogentiacanlein)
4-hydroxy-8,3-dimethoxy-6-acrolein-3-ylflavan-3,4-diol|premnol
2alpha,5,7-trihydroxy-3beta-methylchromanone-2-O-beta-D-glucoside|takanechromanone A
8-Butyryl-1,4,5,7-tetrahydroxy-2-methoxy-anthrachinon|8-Hydroxy,7-Me ether-Rhodocomatulin-8-Hydroxy,7-Me ether|rubrocomatulin 6-methyl ether
(-)-5,4-dihydroxy-7,8-[(3,4-cis-dihydroxy-3,4-dihydro)-2,2-dimethylpyrano]-flavone
(1)Benzopyrano(5,4,3-cde)(1,3)dioxolo(4,5-h)(1)benzopyran-5,11-dione, 1,2,3-trimethoxy-
1,2,3,5,8-Pentamethoxy-6-methylanthracene-9,10-dione
(-)-rel-(1R,2S)-1-(1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl 4-hydroxy-3-methoxybenzoate|(-)-rel-(7R,8S)-4-hydroxy-3-methoxy-3,4-(methylenedioxy)-7,7-epoxy-7,8-secolignan-7,8-dione|marlignan A|marphenol A
3,8-dihydroxy-4,7-dimethoxy-1-methylanthraquinone-2-carboxylic acid methyl ester
5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone
5,7,2,3-tetrahydroxy-2,2-dimethyldihydropyrano[5,6:3,4]isoflavanone|platyisoflavanone D
(2R,3R)-3,5-dihydroxy-7-((E)-4-hydroxy-3-methylbut-2-enyloxy)-2-(4-hydroxyphenyl)chroman-4-one|uguenenprenol
(R)-5-hydroxy-7,2,3,4-tetramethoxyspiro{2H-1-benzopyran-3-(4H)-9-bicyclo[4.2.0]octa-[1,3,5]-triene}-4-one
3-(1,3-Benzodioxole-5-ylmethyl)-5,6,7-trimethoxy-2H-1-benzopyran-4(3H)-one
2,3-dicarboxy-6,7-dihydroxy-1-(3,4-dihydroxy)-phenyl-1,2-dihydronaphthalene-10-methyl ester
4-acetoxy-6-(3,4-diacetoxy-styryl)-pyran-2-one|Tri-O-acetyl-hispidin
7S-(3,4-methylenedioxyphenyl)-8R,8S-dimethyl-8R-hydroxyl-7S-hydroxyl-7R-(3,4-methylenedioxyphenyl)-tetrahydrofuran|zuihonin F
abyssinone C
A chromenol that is 2,2-dimethyl-3,4-dihydro-2H-chromene-3,4,8-triol substituted by a 3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl moiety at position 6 (the E-isomer). It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
5-hydroxyisopsorofebrin|O-De-Me,11-O-Me,1-hydroxy-2,3,3a,12c-Tetrahydro-3,11-dihydroxy-6-methoxy-3-methyl-7H-furo[2,3:4,5]furo[2,3-c]xanthen-7-one,
(1S,10bS)-7,9,10-Trihydroxy-8-(2-hydroxy-1-methylethyl)-3,10b-dimethyl-1H-5-oxaaceanthrylen-4(2H),6(10bH)-dion
(7bbeta,12balpha,14calpha)-1,3,5-trihydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one|ohioensin H
3alpha-chloro-9alpha-acetoxy-4beta,10alpha-dihydroxy-1beta,2beta-epoxy-5alpha,7alphaH-guai-11(13)en-12,6alpha-olide
C17H21ClO7 (372.09757460000003)
Eckol
Eckol is a phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is functionally related to a phloroglucinol. Eckol is a natural product found in Ecklonia cava, Ecklonia maxima, and Eisenia bicyclis with data available. A phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity.
Hydroxypioglitazone
C19H20N2O4S (372.11437200000006)
A member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone. C78272 - Agent Affecting Nervous System
9-Hydroxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
4-hydroxy-austrocorticinic acid|4-Hydroxyaustrocorticinic acid
5,6,7,8-tetrahydroxycoumarin-5-beta-glucopyranoside
4,6-Diformyl-3,8-dihydroxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
(3AR,4R,5R,6AS)-5-HYDROXY-4-((R,E)-3-HYDROXY-4-(3-(TRIFLUOROMETHYL)-PHENOXY)BUT-1-EN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
2-ETHOXYCARBONYL-2-HYDROXY-5,7-DIMETHOXYISOFLAVANONE
Norstictic_acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Norstictic acid is a natural product found in Buellia, Dimelaena, and other organisms with data available.
KBio2_004766
Quercetin pentamethyl ether is a natural product found in Melicope subunifoliolata, Bryobium eriaeoides, and other organisms with data available. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1]. 3,5,7,3′,4′-Pentamethoxyflavone is a polymethoxyflavonoid that can be extracted from Kaempferia parviflora. 3,5,7,3′,4′-Pentamethoxyflavone can induce adipogenesis on 3T3-L1 preadipocytes by regulating transcription factors at an early stage of differentiation[1].
spicatolignan B
(2R,3S)-glycosmisic acid is a member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It is isolated from several plants including spearmint. It has a role as a plant metabolite and a bacterial xenobiotic metabolite. It is functionally related to a ferulic acid. It is a conjugate acid of a glycosmisate. It is an enantiomer of a (2S,3R)-glycosmisic acid. A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid. It is isolated from several plants including spearmint.
3,4,5-Tmmf
(1)Benzopyrano(5,4,3-cde)(1,3)dioxolo(4,5-h)(1)benzopyran-5,11-dione, 1,2,3-trimethoxy- is a natural product found in Camptotheca acuminata and Miconia affinis with data available.
1,3,6,8-tetrahydroxy-2-(1-hydroxyhexyl)anthracene-9,10-dione
[3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
C16H20O10_3-(Benzoyloxy)-2-hydroxypropyl beta-D-glucopyranosiduronic acid
[3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone
Penicillin G potassium
C16H17KN2O4S (372.0546062000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based on: CCMSLIB00000848340]
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]
[3-(4-hydroxy-3-methoxybenzoyl)-2,3-dimethyloxiran-2-yl]-(4-hydroxy-3-methoxyphenyl)methanone_major
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid_major
N-Dealkylzuclopenthixol sulfoxide
C20H21ClN2OS (372.10630460000004)
5,7,4-Trihydroxy-3-methoxyflavanone 4-O-isobutyrate
Fluprostenol Lactone Diol
Veranisatin C
Gomphidic acid
Cyclokievitone hydrate
Dihydroferulic acid 4-O-glucuronide
3-(Benzoyloxy)-2-hydroxypropyl ?-D-glucopyranosiduronic acid
(2,3-Dimethyl-2,3-oxiranediyl)bis[(4-hydroxy-3-methoxyphenyl)methanone]
11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid
tributyl(1,2,2-trifluoroethenyl)stannane
C14H27F3Sn (372.10867279999997)
(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythropentonic acid gamma-lactone 3,5-dibenzoate
Oxametacin
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3,6-bis[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,2,4,5-tetrazine
3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole
C19H18BrFN2 (372.06372999999996)
Premarin
C18H21NaO5S (372.10073360000007)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Estrone sulfate, a biologically inactive form of estrogen, is a major circulating plasma estrogen that is converted into the biologically active estrogen, estrone (E1) by steroid sulfatase (STS). Estrone sulfate can be used for the research of breast cancer[1][2].
7-HYDROXY-3-(1-PHENYL-1H-PYRAZOL-4-YL)-2-TRIFLUOROMETHYL-CHROMEN-4-ONE
C19H11F3N2O3 (372.07217319999995)
1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine,dihydrochloride
6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol
2-(2-(2-FLUOROPHENYL)-5-HYDROXY-8-METHYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDO)ACETIC ACID
quizalofop-P-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
tert-Butyl 4-(2-bromo-4-fluorobenzyl)piperazine-1-carboxylate
2-Bromo-13,13-dimethyl-13H-indeno[1,2-b]anthracene
2-(4-BOC-Piperazinomethyl)-1-bromo-3-fluorobenzene
Exisulind
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
2-[2-(Boc-L-alanyl)aminothaizol-4-yl]-2-methoxyimino acetic acid
C14H20N4O6S (372.11035000000004)
17β-Dihydro Equilin 3-Sulfate Sodium Salt
C18H21NaO5S (372.10073360000007)
methyl(S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate
C14H21BrN4O3 (372.07969360000004)
4,5-Dioxo-4,5-dihydro-1H-pyrrol[2,3-f]quinoline-2,7,9-tricarboxylic acid trimethyl ester
8-(4-fluorophenyl)-2-methyl-4,7-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
N,N-DiBoc-2-amino-4-bromopyridine
C15H21BrN2O4 (372.06846060000004)
4-Bromo-2-(4-BOC-piperazinomethyl)-1-fluorobenzene
N,N-DIBOC-2-CHLORO-4-NITROANILINE
C16H21ClN2O6 (372.10880760000003)
2(3H)-Benzothiazolone, 3-((4-(2-methyl-1H-imidazo(4,5-C)pyridin-1-yl)phenyl)methyl)-
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL) ethyl-4-(4-ethoxy [1,1-biphenyl]-4-YL)-4-oxobutanoic acid
C19H20N2O4S (372.11437200000006)
2-(3,4-Dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
Hexadimethrini bromidum
D006401 - Hematologic Agents > D003029 - Coagulants > D006494 - Heparin Antagonists D001697 - Biomedical and Dental Materials
1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
6-[(3-Aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5h-thieno[2,3:4,5]pyrrolo[2,3-d]pyridazin-5-one
C17H16N4O2S2 (372.07146359999996)
(2Z,5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
2-(Benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
C20H20O5S (372.10313900000006)
ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
N-[(4-methylphenyl)methyl]-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
(2,3-Dimethyloxirane-2,3-diyl)bis((4-hydroxy-3-methoxyphenyl)methanone)
Methyl-2-S-(alpha-D-mannopyranosyl)-2-thio-alpha-D-mannopyranoside
(2s)-1,3-Benzothiazol-2-Yl{2-[(2-Pyridin-3-Ylethyl)amino]pyrimidin-4-Yl}ethanenitrile
Edetate disodium
D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents D000074385 - Food Ingredients > D005503 - Food Additives D006401 - Hematologic Agents > D000925 - Anticoagulants
Sesamolinol
1,3,6,8-Tetrahydroxy-2-(1-hydroxyhexyl)anthraquinone
deacetylcephalosporin C(1-)
A cephalosporin carboxylic acid anion that is the conjugate base of deacetylcephalosporin C, arising from deprotonation of both carboxy groups and protonation of the amino group; major species at pH 7.3.
Violaceinate
C21H14N3O4- (372.09842640000005)
A monocarboxylic acid anion that is the conjugate base of violaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
(2E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
5-Methoxy-6-methylbenzimidazole ribotide phosphate
C14H17N2O8P-2 (372.07224920000004)
1,3,6,8-tetrahydroxy-2-[(1R)-1-hydroxyhexyl]anthracene-9,10-dione
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
4-(4-(4-Chlorobenzyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
C19H21ClN4S (372.11753760000005)
3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
N-(4-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide
(2-Morpholin-4-yl-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate
1-[[1-[(4-Chlorophenyl)methyl]-2-oxo-3-indolylidene]amino]-3-ethylthiourea
N-[(E)-(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-hydroxy-3-methoxybenzohydrazide
C18H13ClN2O5 (372.05129580000005)
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-thiophenecarboxamide
N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide
N-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide
C16H16N6O3S (372.10045460000003)
N-(4-hydroxyphenyl)-N-methyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
(17S)-5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
N-ethyl-2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2R,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)
6-(2,4-Dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
[2-Hydroxy-5-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulate
C15H16O9S (372.05150060000005)
3,4,5-trihydroxy-6-[(E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoyl]oxyoxane-2-carboxylic acid
(2R,3S,4R,5S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3,4,5-tetrahydroxyhexanedioic acid
3,4,5-Trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(3-hydroxy-5-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
2-[(3E)-6-fluoro-2-(hydroxymethyl)-3-[[4-[(S)-methylsulfinyl]phenyl]methylidene]inden-1-yl]acetic acid
[5-[2-amino-5-(azaniumylmethyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphate
C12H15N5O7P- (372.07090700000003)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] butanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] pentanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] butanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] pentanoate
QUIZALOFOP-ETHYL
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(2S,3R)-glycosmisic acid
A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
(2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Impatienol(2-)
An enolate anion that is the dianion obtained by the deprotonation of the enol groups of impatienol.
H4R antagonist 3
C19H21ClN4S (372.11753760000005)
H4R antagonist 3 (Example 18) is a histamine-4 receptor antagonist with an EC50 of ＜10 mM. H4R antagonist 3 can be used for the research of prevention of inflammatory, autoimmune, allergic, and ocular diseases[1].
Kras4B G12D-IN-1
C16H21ClN2O4S (372.0910496000001)
Kras4B G12D-IN-1 is a Kras4B G12D inhibitor with anticancer effects. Kras4B G12D-IN-1 decreases Kras protein expression in mouse embryonic fibroblasts (MEF) expressing Kras4B G12D (WO2016179558A1, Comp 994566)[1].
(3s,4as,12bs)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydro-6-oxatetraphene-7,12-dione
(1s,2s,3s,5r,11r,12s,13s,15s)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione
(1r,15s,23s)-6,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(1r,2s,14s,15r)-8,12,17,21-tetraoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹¹.0⁵,⁹.0¹⁸,²⁶.0²⁰,²⁴]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione
ethyl 4,11-dihydroxy-10,12-dimethyl-2,14-dioxo-9-oxatetracyclo[9.3.2.0¹,¹⁰.0³,⁸]hexadeca-3,5,7,12-tetraene-16-carboxylate
3-[3,4-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-6-yl]prop-2-enal
5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.0²,¹¹.0³,⁸.0¹³,¹⁵]heptadec-8-ene-7,17-dione
3-(acetyloxy)-2-methyl-4-{7-oxofuro[3,2-g]chromen-6-yl}butan-2-yl acetate
(7as,9s)-4,6,7a-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9h-phenaleno[1,2-b]furan-3,7-dione
2-(2h-1,3-benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxychromen-4-one
(2s)-2-[(3s)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(2r,3r,4r,5s)-2,3,4,5,7-pentahydroxy-6-oxoheptyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-hydroxy-16,17-dimethoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
2,4,6,15,18-pentahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)
(3s,4s)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
(2r)-7-hydroxy-2-[2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-2,3-dihydro-1-benzopyran-4-one
5-(furan-3-yl)-3',10'-dimethyl-8',12'-dioxaspiro[oxolane-3,2'-tetracyclo[7.3.1.0¹,⁶.0⁶,¹⁰]tridecane]-2,7',11'-trione
(2s,3s)-5,7-dihydroxy-3-methyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(3s,4'r,5s,8's,10's,12'r)-5-(furan-3-yl)-10'-hydroxy-12'-(hydroxymethyl)-6'-methylidene-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
3,6-bis(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
5-(furan-3-yl)-10'-hydroxy-12'-(hydroxymethyl)-6'-methylidene-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
2-(2h-1,3-benzodioxol-5-yl)-4-(2h-1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)oxolan-3-ol
4,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
methyl (1s,4ar,7ar)-7-oxo-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
(3z)-3-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
(2s,3s)-3-(3,4-dihydroxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxooxolane-2-carboxylic acid
8,12,17,21-tetraoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹¹.0⁵,⁹.0¹⁸,²⁶.0²⁰,²⁴]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione
(2s)-7-hydroxy-2-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-2,3-dihydro-1-benzopyran-4-one
(3s)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(4r,11r,12r)-8,11-dihydroxy-12-(4-hydroxyphenyl)-4-(2-hydroxypropan-2-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-10-one
3-(2,10-dihydroxy-5-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl)-3-methoxyprop-2-enoic acid
7-(furan-3-yl)-10-hydroxy-9-methyl-6,13,17-trioxapentacyclo[8.8.0.0¹,¹⁵.0⁴,⁹.0¹²,¹⁴]octadec-3-ene-5,16-dione
(6s)-6,11-dihydroxy-2,3,9-trimethoxy-6h-5,7-dioxatetraphen-12-one
(5r,6r)-5-hydroxy-6-methyl-7-oxo-2-[(1e)-prop-1-en-1-yl]-4,5-dihydro-1-benzofuran-6-yl 2,4-dihydroxy-6-methylbenzoate
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
7-{[(2e)-4-[(2s)-4-(hydroxymethyl)-5-oxo-2h-furan-2-yl]-3-methylbut-2-en-1-yl]oxy}-8-methoxychromen-2-one
(7ar,9r)-4,6,7a-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9h-phenaleno[1,2-b]furan-3,7-dione
13,14-dihydroxy-15-methoxy-4-methyl-5,10,19-trioxapentacyclo[9.8.1.0¹,⁸.0³,⁷.0¹²,¹⁷]icosa-3,6,12(17),13,15-pentaene-2,9-dione
[(4r)-4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate
(17r)-13,17-dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
3-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-5,6,7-trimethoxychromen-2-one
3,4-methylenedioxy-3',4'-o-dimethyl-5'-me-thoxyellagicacid
{"Ingredient_id": "HBIN007497","Ingredient_name": "3,4-methylenedioxy-3',4'-o-dimethyl-5'-me-thoxyellagicacid","Alias": "NA","Ingredient_formula": "C18H12O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14359","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,6,7,3,4-pentamethoxyflavone
{"Ingredient_id": "HBIN011092","Ingredient_name": "5,6,7,3,4-pentamethoxyflavone","Alias": "NA","Ingredient_formula": "C20H20O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40724","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7,8,3',4'-pentamethoxyflavone
{"Ingredient_id": "HBIN012047","Ingredient_name": "6,7,8,3',4'-pentamethoxyflavone","Alias": "NA","Ingredient_formula": "C20H20O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16859","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-caffeoylsedoheptulose
{"Ingredient_id": "HBIN013130","Ingredient_name": "7-caffeoylsedoheptulose","Alias": "NA","Ingredient_formula": "C16H20O10","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC(C(C(C(C(=O)CO)O)O)O)O)O)O","Ingredient_weight": "372.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2922","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102369742","DrugBank_id": "NA"}
anticancer lignan pmv70p691-124
{"Ingredient_id": "HBIN016348","Ingredient_name": "anticancer lignan pmv70p691-124","Alias": "NA","Ingredient_formula": "C20H20O7","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C3COC(C3C(=O)O2)C4=CC(=C(C=C4)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1425","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(4-hydroxy-3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(3s,4s)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carboxylic acid
(2r)-2-hydroxy-2-[(2r,3s,4s,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3s,4r,5r)-3,4,5,6-tetrahydroxy-2-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}hexanoic acid
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
2-hydroxy-2-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3r)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
(1r,2r,3r,5s,9s,10r,11r,12r,13s)-11-chloro-2,12-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)
methyl 1,3,5-trihydroxy-2,5-bis(4-hydroxyphenyl)-4-oxocyclopent-2-ene-1-carboxylate
8-benzoyl-7-hydroxy-5-methoxy-4-phenylchromen-2-one
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
(1s,13r)-1-hydroxy-16,17-dimethoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
6,7,8-trihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
9-hydroxy-7-(3,4,5-trimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
6-hydroxy-5,7,8-trimethoxy-9,10-dioxoanthracen-2-yl acetate
methyl (1s,4ar)-7-oxo-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
[(1s,4s)-4-(4-bromo-3,3-dimethylcyclohexyl)-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate
6,7,8-trihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
12,13,14-trimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),11(19),12,14-hexaene-9,16-dione
(1r,4r,13s,14s,18s)-7,13,18-trihydroxy-17-methyl-19,20-dioxapentacyclo[12.4.1.1¹,⁴.0⁴,¹³.0⁶,¹¹]icosa-6,8,10,16-tetraene-5,12,15-trione
(2r,3s,4r,5r)-3,4,5,6-tetrahydroxy-2-{[(2z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}hexanoic acid
(3s,4r,5r,6s,9e)-10-(3,4-dihydroxyphenyl)-1,3,4,5,6,7-hexahydroxydec-9-ene-2,8-dione
(1r,2s,8r,9r,10r,11s,12r,14r)-11-chloro-9,10-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-8-yl acetate
C17H21ClO7 (372.09757460000003)
21-(dimethylamino)-17-thia-1,11,14-triazahexacyclo[10.9.2.0²,⁷.0⁸,²³.0¹³,¹⁸.0¹⁹,²²]tricosa-2(7),3,5,8,10,12(23),13(18),14,19(22),20-decaen-15-ol
(1r,4r,13r,14r,18s)-7,13,18-trihydroxy-17-methyl-19,20-dioxapentacyclo[12.4.1.1¹,⁴.0⁴,¹³.0⁶,¹¹]icosa-6,8,10,16-tetraene-5,12,15-trione
(4s,7r,8s,11r)-6-(hydroxymethyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid
C21H12N2O5 (372.07461820000003)
(2s,3s,4e)-3-(3,4-dihydroxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxooxolane-2-carboxylic acid
(1s,8s,11s)-13,14-dihydroxy-15-methoxy-4-methyl-5,10,19-trioxapentacyclo[9.8.1.0¹,⁸.0³,⁷.0¹²,¹⁷]icosa-3,6,12(17),13,15-pentaene-2,9-dione
5,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
methyl (1s,5s)-1,3,5-trihydroxy-2,5-bis(4-hydroxyphenyl)-4-oxocyclopent-2-ene-1-carboxylate
6,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(4r,7r,8s,11r)-6-(hydroxymethyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
3-({[(4s)-3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl]methyl}sulfanyl)-2-hydroxypropanoic acid
C16H20O8S (372.08788400000003)
6-(acetyloxy)-2,8-dimethoxy-9-oxoxanthen-1-yl acetate
(2s)-2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}-3-(1h-indol-3-yl)propanoic acid
11-chloro-2,12-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)
[(1s,4r)-4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate
3-{[(3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl)methyl]sulfanyl}-2-hydroxypropanoic acid
C16H20O8S (372.08788400000003)
5,7-dihydroxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
6,11-dihydroxy-6-(hydroxymethyl)-18-methoxy-4,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
8-(acetyloxy)-2,3-dimethoxy-9-oxoxanthen-4-yl acetate
(3s,6r,7r)-6,11-dihydroxy-6-(hydroxymethyl)-18-methoxy-4,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
7,13,18-trihydroxy-17-methyl-19,20-dioxapentacyclo[12.4.1.1¹,⁴.0⁴,¹³.0⁶,¹¹]icosa-6,8,10,16-tetraene-5,12,15-trione
(2r,3s,4ar,12bs)-2,3,4a,8,12b-pentahydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
(1r,15s,23s)-4,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(4r,5r)-4,5-bis(8-hydroxyquinolin-4-yl)oxolan-2-one
3,4,5,6-tetrahydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}hexanoic acid
2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}-3-(1h-indol-3-yl)propanoic acid
(1r,15s,23s)-5,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(17r)-5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carbaldehyde
1-butanoyl-2,4,5,8-tetrahydroxy-7-methoxyanthracene-9,10-dione
(2r,3r)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(17s)-5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carbaldehyde
13,17-dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
methyl 7-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
5,13-dihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carboxylic acid
1,6-dimethyl 2,8-dimethoxy-9-oxoxanthene-1,6-dicarboxylate
(4s,7s,8s,11s)-6-(hydroxymethyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
13-hydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3,5,7,11,13-hexaene-9,15-dione
(1s,2r,3s,4ar,9as)-9a-chloro-1,2,3,4a,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
methyl 15-formyl-6,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylate
2-(3,4-dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-3,6,8-trimethoxychromen-4-one
(1s,2r,3r,5s,9s,10s,11r,12r,13s)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)