Exact Mass: 346.1311
Exact Mass Matches: 346.1311
Found 500 metabolites which its exact mass value is equals to given mass value 346.1311,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cynaropicrin
Constituent of Cynara scolymus (artichoke). Cynaropicrin is found in cardoon, globe artichoke, and root vegetables. Cynaropicrin is found in cardoon. Cynaropicrin is a constituent of Cynara scolymus (artichoke). Cynaropicrin is a sesquiterpene lactone. Cynaropicrin is a natural product found in Pleiotaxis rugosa, Pseudostifftia kingii, and other organisms with data available. See also: Cynara scolymus leaf (part of). D009676 - Noxae > D003603 - Cytotoxins Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling. Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling.
Aucubin
Aucubin is found in common verbena. Aucubin is a monoterpenoid based compound. Aucubin, like all iridoids, has a cyclopentan-[C]-pyran skeleton. Iridoids can consist of ten, nine, or rarely eight carbons in which C11 is more frequently missing than C10. Aucubin has 10 carbons with the C11 carbon missing. The stereochemical configurations at C5 and C9 lead to cis fused rings, which are common to all iridoids containing carbocylclic- or seco-skeleton in non-rearranged form. Oxidative cleavage at C7-C8 bond affords secoiridoids. The last steps in the biosynthesis of iridoids usually consist of O-glycosylation and O-alkylation. Aucubin, a glycoside iridoid, has an O-linked glucose moiety. Aucubin is an iridoid glycoside. Iridoids are commonly found in plants and function as defensive compounds. Irioids decrease the growth rates of many generalist herbivores. Aucubin is found in the leaves of Aucuba japonica (Cornaceae), Eucommia ulmoides (Eucommiaceae), and Plantago asiatic (Plantaginaceae), etc, plants used in traditional Chinese and folk medicine. Aucubin was found to protect against liver damage induced by carbon tetrachloride or alpha-amanitin in mice and rats when 80 mg/kg was dosed intraperitoneally. Geranyl pyrophosphate is the precursor for iridoids. Geranyl phosphate is generated through the mevalonate pathway or the methylerythritol phosphate pathway. The initial steps of the pathway involve the fusion of three molecules of acetyl-CoA to produce the C6 compound 3-hydroxy-3-methylglutaryl-CoA (HMG-CoA). HMG-CoA is then reduced in two steps by the enzyme HMG-CoA reductase. The resulting mevalonate is then sequentially phosphorylated by two separate kinases, mevalonate kinase and phosphomevalonate kinase, to form 5-pyrophosphomevalonate. Phosphosphomevalonate decarboxylase through a concerted decarboxylation reaction affords isopentenyl pyrophosphate (IPP). IPP is the basic C5 building block that is added to prenyl phosphate cosubstrates to form longer chains. IPP is isomerized to the allylic ester dimethylallyl pyrophosphate (DMAPP) by IPP isomerase. Through a multistep process, including the dephosphorylation DMAPP, IPP and DMAPP are combinded to from the C10 compound geranyl pyrophosphate (GPP). Geranyl pyrophosphate is a major branch point for terpenoid synthesis. The cyclizaton reaction to form the iridoid pyrane ring may result from one of two routes: route 1 - a hydride nucleophillic attack on C1 will lead to 1-O-carbonyl atom attack on C3, yielding the lactone ring; route 2 - loss of proton from carbon 4 leads to the formation of a double bond C3-C4; consequently the 3-0-carbonyl atom will attach to C1 Aucubin is a monoterpenoid based compound. Aucubin, like all iridoids, has a cyclopentan-[C]-pyran skeleton. Iridoids can consist of ten, nine, or rarely eight carbons in which C11 is more frequently missing than C10. Aucubin has 10 carbons with the C11 carbon missing. The stereochemical configurations at C5 and C9 lead to cis fused rings, which are common to all iridoids containing carbocylclic- or seco-skeleton in non-rearranged form. Oxidative cleavage at C7-C8 bond affords secoiridoids. The last steps in the biosynthesis of iridoids usually consist of O-glycosylation and O-alkylation. Aucubin, a glycoside iridoid, has an O-linked glucose moiety.; Aucubin is an iridoid glycoside. Iridoids are commonly found in plants and function as defensive compounds. Irioids decrease the growth rates of many generalist herbivores. Aucubin is found in the leaves of Aucuba japonica (Cornaceae), Eucommia ulmoides (Eucommiaceae), and Plantago asiatic (Plantaginaceae), etc, plants used in traditional Chinese and folk medicine. Aucubin was found to protect against liver damage induced by carbon tetrachloride or alpha-amanitin in mice and rats when 80 mg/kg was dosed intraperitoneally.; Geranyl pyrophosphate is the precursor for iridoids. Geranyl phosphate is generated through the mevalonate pathway or the methylerythritol phosphate pathway. The initial steps of the pathway involve the fusion of three molecules of acetyl-CoA to produce the C6 compound 3-hydroxy-3-methylglutaryl-CoA (HMG-CoA). HMG-CoA is then reduced in two steps by the enzyme HMG-CoA reductase. The resulting mevalonate is then sequentially phosphorylated by two separate kinases, mevalonate kinase and phosphomevalonate kinase, to form 5-pyrophosphomevalonate. Phosphosphomevalonate decarboxylase through a concerted decarboxylation reaction affords isopentenyl pyrophosphate (IPP). IPP is the basic C5 building block that is added to prenyl phosphate cosubstrates to form longer chains. IPP is isomerized to the allylic ester dimethylallyl pyrophosphate (DMAPP) by IPP isomerase. Through a multistep process, including the dephosphorylation DMAPP, IPP and DMAPP are combinded to from the C10 compound geranyl pyrophosphate (GPP). Geranyl pyrophosphate is a major branch point for terpenoid synthesis.; The cyclizaton reaction to form the iridoid pyrane ring may result from one of two routes: route 1 - a hydride nucleophillic attack on C1 will lead to 1-O-carbonyl atom attack on C3, yielding the lactone ring; route 2 - loss of proton from carbon 4 leads to the formation of a double bond C3-C4; consequently the 3-0-carbonyl atom will attach to C1. Aucubin is an organic molecular entity. It has a role as a metabolite. Aucubin is a natural product found in Verbascum lychnitis, Plantago media, and other organisms with data available. See also: Chaste tree fruit (part of); Rehmannia glutinosa Root (part of); Plantago ovata seed (part of). Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3]. Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3].
Gibberellin A3
Gibberellic acid, also known as gibberellin A3, GA, or GA3, is a very potent hormone whose natural occurrence in plants controls their development. Since GA regulates growth, applications of very low concentrations can have a profound effect while too much will have the opposite effect. Gibberellic acid is a hormone found in plants. Gibberellic acid is a simple gibberellin promoting the growth and elongation of cells. It affects the decomposition of plants. It also helps plants grow if used in small amounts but eventually, plants grow a tolerance for it. Gibberellic acid stimulates the cells of germinating seeds to produce mRNA molecules that code for hydrolytic enzymes. Gibberellic acid is a white powder. (NTP, 1992) Gibberellin A3 is a C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. It has a role as a plant metabolite and a mouse metabolite. It is a lactone, a gibberellin monocarboxylic acid, an organic heteropentacyclic compound and a C19-gibberellin. It is a conjugate acid of a gibberellin A3(1-). Gibberellic acid is a natural product found in Cocos nucifera, Prunus cerasus, and other organisms with data available. Gibberellins (GAs) are plant hormones that regulate growth and influence various developmental processes, including stem elongation, germination, dormancy, flowering, sex expression, enzyme induction, and leaf and fruit senescence. Gibberellins is found in many foods, some of which are common wheat, potato, sunflower, and common pea. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3262; ORIGINAL_PRECURSOR_SCAN_NO 3260 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3253; ORIGINAL_PRECURSOR_SCAN_NO 3251 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3271; ORIGINAL_PRECURSOR_SCAN_NO 3269 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3249; ORIGINAL_PRECURSOR_SCAN_NO 3246 CONFIDENCE standard compound; INTERNAL_ID 449; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3255; ORIGINAL_PRECURSOR_SCAN_NO 3254 KEIO_ID G074 Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1]. Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1].
Strigol
Strigol is found in corn. Strigol is a constituent of the root of Gossypium hirsutum (cotton) Strigolactones are plant hormones that have been implicated in inhibition of shoot branching. Strigolactones are carotenoid-derived and trigger germination of parasitic plant seeds (for example striga from which they gained their name) and stimulate symbiotic mycorrhizal fungi. Strigolactones contain a labile ether bond that is easily hydrolysed in the rhizosphere meaning that there is a large concentration gradient between areas near the root and those further away. Constituent of the root of Gossypium hirsutum (cotton)
3,4,5-Trimethoxyphenyl glucoside
3,4,5-Trimethoxyphenyl glucoside is a constituent of Quillaja saponaria (soap-bark tree). Constituent of Quillaja saponaria (soap-bark tree)
Alectrol
Alectrol is found in cowpea. Alectrol is isolated from the roots of Vigna unguiculata (genuine host plant for Alectra species) Strigolactones are plant hormones that have been implicated in inhibition of shoot branching. Strigolactones are carotenoid-derived and trigger germination of parasitic plant seeds (for example striga from which they gained their name) and stimulate symbiotic mycorrhizal fungi. Strigolactones contain a labile ether bond that is easily hydrolysed in the rhizosphere meaning that there is a large concentration gradient between areas near the root and those further away. Isolated from the roots of Vigna unguiculata (genuine host plant for Alectra subspecies)
Junosmarin
Junosmarin is found in citrus. Junosmarin is a constituent of Citrus junos (yuzu). Constituent of Citrus junos (yuzu). Junosmarin is found in citrus.
Mytilin B
Mytilin B is found in mollusks. Mytilin B is isolated from the edible mussel Mytilus galloprovincialis as a 1:3 inseparable mixture with Mytilin A
Diosbulbin G
Diosbulbin G is found in root vegetables. Diosbulbin G is isolated from Dioscorea bulbifera (air potato). Isolated from Dioscorea bulbifera (air potato). Diosbulbin G is found in root vegetables.
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Gibberellin A68
Gibberellin A68 (GA68) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A68 is found in apple. Gibberellin A68 is a constituent of apple and pear seeds. Constituent of apple and pear seeds. Gibberellin A68 is found in many foods, some of which are apple, pomes, sunflower, and peach.
Gibberellin A22
Gibberellin A22 (GA22) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A22 is found in pulses. Gibberellin A22 is isolated from immature seeds of Canavalia gladiata (sword bean). Isolated from immature seeds of Canavalia gladiata (sword bean). Gibberellin A22 is found in pulses.
8-Hydroxy-3',4',5',7-tetramethoxyflavan
8-Hydroxy-3,4,5,7-tetramethoxyflavan is found in fruits. 8-Hydroxy-3,4,5,7-tetramethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 8-Hydroxy-3,4,5,7-tetramethoxyflavan is found in fruits.
5'-Hydroxy-3',4',7,8-tetramethoxyflavan
5-Hydroxy-3,4,7,8-tetramethoxyflavan is found in fruits. 5-Hydroxy-3,4,7,8-tetramethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 5-Hydroxy-3,4,7,8-tetramethoxyflavan is found in fruits.
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Di-O-methylcrenatin
Di-O-methylcrenatin is found in herbs and spices. Di-O-methylcrenatin is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). Di-O-methylcrenatin is found in herbs and spices.
Gibberellin A92
Gibberellin A92 (GA92) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A92 is found in cereals and cereal products. Gibberellin A92 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A92 is found in wheat, cereals and cereal products, and common wheat.
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside is found in herbs and spices. 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside is found in herbs and spices.
Diosbulbin E
Diosbulbin E is found in root vegetables. Diosbulbin E is a constituent of Dioscorea bulbifera (air potato).
Gibberellin A80
Gibberellin A80 (GA80), also known as 11beta-hydroxygibberellin A7, belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A80 is found in apple. Gibberellin A80 is a constituent of Eriobotrya japonica (loquat). Constituent of Eriobotrya japonica (loquat). 11b-Hydroxygibberellin A7 is found in loquat, apple, and fruits.
Gibberellin A94
Gibberellin A94 (GA94) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A94 is found in cereals and cereal products. Gibberellin A94 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A94 is found in wheat, cereals and cereal products, and common wheat.
Gibberellin A126
Gibberellin A126 (GA126) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A126 is found in fruits. Gibberellin A126 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin GA126 is found in fruits and peach.
2-(4-Methylphenoxy)-7-(4-chlorophenyl)heptanoic acid
Beclobrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Chlorproethazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002491 - Central Nervous System Agents
Dihydrorhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
Flutrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Gibberellins
Gibberellic acid is a very potent hormone whose natural occurrence in plants controls their development. Since GA regulates growth, applications of very low concentrations can have a profound effect while too much will have the opposite effect. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Isotaxiresinol
2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
Gibberellin A6
Gibberellin a6 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a6 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a6 can be found in common bean, green bean, scarlet bean, and yellow wax bean, which makes gibberellin a6 a potential biomarker for the consumption of these food products.
Gibberellin A30
Gibberellin a30 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a30 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a30 can be found in peach and sour cherry, which makes gibberellin a30 a potential biomarker for the consumption of these food products.
gibberellin A29-catabolite
Gibberellin a29-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a29-catabolite is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a29-catabolite can be found in a number of food items such as mentha (mint), kiwi, lemon verbena, and persimmon, which makes gibberellin a29-catabolite a potential biomarker for the consumption of these food products.
gibberellin A34-catabolite
Gibberellin a34-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a34-catabolite is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a34-catabolite can be found in a number of food items such as daikon radish, poppy, redcurrant, and black mulberry, which makes gibberellin a34-catabolite a potential biomarker for the consumption of these food products.
2,3-Naphthalenedimethanol, 1-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-, stereoisomer (8CI); (1S,2R,3R)-1-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2,3-naphthalenedimethanol
[3aS-(3aalpha,4beta,5beta,6alpha,7alpha,7abeta)]-6-Ethenyl-5-(1-formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid
[3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid
3-Hydroxy-2,4,6,7,8-pentamethoxy-9,10-dihydrophenanthrene
Chlorproethazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002491 - Central Nervous System Agents
4,15-iso-Atripliciolide isobutyrate|4,15?iso?atriplicolide?8?O?isobutyrate|8-O-isobutyryl-4,15-isoatriplicolide
3beta-hydroxy-8alpha-epoxymethyl acriloiloxy-4(15),10(14),11(13)-trien-(1alphaH),(5alphaH)-guaian-6,12-olide|3beta-hydroxy-8alpha-epoxymethylacryloiloxy-4(15),10(14),11(13)-trien-(1alphaH),(5alphaH)-guaian-6,12-olide
chushizisin A|threo-1-(4-hydroxyphenyl)-2-{4-[(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol
8beta-methacryloyloxy-10alpha-hydroxyguaia-3,11(13)-dien-2-on-6alpha,12-olide
2,5-epoxy-2beta-hydroxy-8alpha-(2-methylpropenoyloxy)-4(15),10(14),11(13)-germacratrien-12,6alpha-olide
(-)-abyssomicin C|(-)-atrop-abyssomicin C|abyssomicin C|atrop-abyssomicin C
9alpha-hydroxy-8beta-methacryloyloxy-14-oxo-acanthospermolide|9alpha-hydroxy-8beta-methacryloyloxy-14-oxoacanthospermolide
7-hydroxy-8-(3-hydroxy-2-senecioyloxyisopentyl) coumarin
(7alpha,8beta)-3-methoxy-4,7-epoxy-8,3-oxyneolignan-4,9,9-triol
2,3-O-Isopropylidene,1,4,5-tri-Ac-beta-D-Tagatose,,
4,9,9-Trihydroxy-3-methoxy-3,7-epoxy-4,8-oxyneolignan
(1beta,6alpha,8alpha)-1-hydroxy-8-{[2-(hydroxymethyl)acryloyl]oxy}eudesma-2,4(14),11(13)-trieno-12,6-lactone|loloanolide B|rel-(3aR,4S,5aRS,9aS,9bR)-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphto[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(4R*,5S*,6S*,7R*,8S*,10R*)-8-(2-Methylpropenoyloxy)-4-hydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide
Cynaropicrin
Cynaropicrin is a sesquiterpene lactone. Cynaropicrin is a natural product found in Pleiotaxis rugosa, Pseudostifftia kingii, and other organisms with data available. See also: Cynara scolymus leaf (part of). D009676 - Noxae > D003603 - Cytotoxins Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling. Cynaropicrin is a sesquiterpene lactone which can inhibit tumor necrosis factor (TNF-α) release with IC50s of 8.24 and 3.18 μM for murine and human macrophage cells, respectively. Cynaropicrin also inhibits the increase of cartilage degradation factor (MMP13) and suppresses NF-κB signaling.
hyporadiolide-8-O-(2-methylacrylate)|hyporadiolide-8-O-<2-methylacrylate>
7-hydroxy-6-(3-hydroxy-2-senecioyloxyisopentyl) coumarin
3-Hydroxy-4-isovaleryloxy-2,3-dihydrooroselol|9-hydroxy-8-[1-methyl-1-(3-methyl-butyryloxy)-ethyl]-8,9-dihydro-furo[2,3-h]chromen-2-one
Aucubin
Aucubin is an organic molecular entity. It has a role as a metabolite. Aucubin is a natural product found in Verbascum lychnitis, Plantago media, and other organisms with data available. See also: Chaste tree fruit (part of); Rehmannia glutinosa Root (part of); Plantago ovata seed (part of). Origin: Plant; SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids; Origin: Plant Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3]. Aucubin, an iridoid glucoside, is isolated from Plantago asiatica, Eucommia ulmoides, the leaves of Aucuba japonica and more recently from butterfly larva. Aucubin has many biological activities, such as antioxidant, anti-aging, anti-inflammatory, antimicrobial, anti-fibrotic, anti-cancer, hepatoprotective, neuroprotective and osteoprotective effects[1][2][3].
2alpha,3beta,8-trihydroxy-7-isoprenyl-6-methoxy-1,2,3,4-tetrahydroxanthone|garcimangosxanthone C
deltoidealactone|rel-(3aS,4S,5E,9Z,11aR)-6-formyl-2,3,3a,4,7,8,11,11a-octahydro-10-methyl-2-oxo-3-methylene-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)acrylate
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside
A monosaccharide derivative that consists of 4-(hydroxymethyl)-2,6-dimethoxyphenol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Acacia mearnsii it exhibits cytotoxic activity.
16-hydroxypodolide|17-hydroxy-3-deoxy-2,3-didehydro-nagilactone E|Salignone H|salignone-H
metasequirin H|rel-(3R,4S,5S)-tetrahydro-5-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-4-(4-hydroxyphenyl)furan-3-ol
5-(7-peroxyl-3,7-dimethyl-5-octaenyloxy)-7-hydroxycoumarin|minutin A
5-(6-peroxyl-3-methylene-2-octaenyloxy)-7-hydroxycoumarin|minutin B
3-hydroxy-4,5-dimethoxybenzyl beta-D-glucopyranoside|3-O-demethylnikoenoside
(-)-2-hydroxy-1-[(7-hydroxy-2-oxo-2H-chromen-6-yl)methyl]-2-methylpropyl (2Z)-2-methylbut-2-enoate
3beta-(4-hydroxymethacryloyloxy)-8alpha-hydroxycostunolide|3beta-<4-hydroxymethacryloyloxy>-8alpha-hydroxycostunolide|cynaropicrin
(4betaH)-5alpha-hydroxy-8alpha-(2-methylpropenoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6alpha-olide
eupahakonenin-B|O-(4-Hydroxy-2-methyl-2E-butenoyl)-(1alpha,5alpha,6alpha,8beta)-8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide
(2R,3S,4S)-5,4-dimethoxy-6,8-dimethyl-3,4,7-trihydroxy-flavan|4,5-Di-Me ether-(2R,3S,4S)-3,4,4,5,7-Pentahydroxy-6,8-dimethylflavan
(2R*,3S*,7R*,8S*)-2,3-Epoxy-15-(2-methyl)propanoyloxy-14-oxomelampa-1(10),4,11(13)-trien-8,12-olide
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxy-4,5-methylenedioxyphenyl)-propane
(5S*,7R*,8S*,10S*)-2,3-Epoxy-15-(2-methyl)propanoyloxy-14-oxoelema-1,3,11(13)-trien-8,12-olide
flutrimazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Dihydrorhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
Isotaxiresinol
Isotaxiresinol is a lignan that consists of 1,2,3,4-tetrahydronaphthalene substituted by a hydroxy group at position 7, hydroxymethyl groups at positions 2 and 3, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a lignan, a pentol, a polyphenol and a primary alcohol. Isotaxiresinol is a natural product found in Fitzroya cupressoides, Taxus wallichiana, and other organisms with data available. A lignan that consists of 1,2,3,4-tetrahydronaphthalene substituted by a hydroxy group at position 7, hydroxymethyl groups at positions 2 and 3, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from Taxus yunnanensis.
Gibberellic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.647 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.643 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.642 Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1]. Gibberellic Acid is named after a fungus Gibberella fujikuroi . Gibberellic Acid regulates processes of plant development and growth, including seed development and germination, stem and root growth, cell division, and flowering time[1].
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
4-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one
C19H22O6_(1R,2R,4S,5R,8R,9S,10R,11S,12S)-4,12-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid
C15H22O9_beta-D-Glucopyranoside, (4-hydroxy-3,5-dimethoxyphenyl)methyl
C19H22O6_13,17-Dihydroxy-4-methyl-14-methylene-5-oxo-6-oxapentacyclo[11.2.1.1~4,7~.0~1,10~.0~3,9~]heptadec-8-ene-2-carboxylic acid
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one
2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based on: CCMSLIB00000847212]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol [IIN-based: Match]
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one [IIN-based: Match]
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one [IIN-based: Match]
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one [IIN-based on: CCMSLIB00000848731]
1,7-bis(3,4-dihydroxyphenyl)-6-hydroxyheptan-3-one_major
2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
2-[(4-hydroxy-3,5-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_73.4\\%
Ala Cys Gly Pro
Ala Cys Pro Gly
Ala Gly Cys Pro
Ala Gly Pro Cys
Ala Pro Cys Gly
Ala Pro Gly Cys
Cys Ala Gly Pro
Cys Ala Pro Gly
Cys Gly Ala Pro
Cys Gly Pro Ala
Cys Pro Ala Gly
Cys Pro Gly Ala
Gly Ala Cys Pro
Gly Ala Pro Cys
Gly Cys Ala Pro
Gly Cys Pro Ala
Gly Pro Ala Cys
Gly Pro Cys Ala
Pro Ala Cys Gly
Pro Ala Gly Cys
Pro Cys Ala Gly
Pro Cys Gly Ala
Pro Gly Ala Cys
Pro Gly Cys Ala
Gibberellin A94
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside
Gibberellin A68
A C19-gibberellin, initially identified in Malus sylvestris. It differs from gibberellin A1 in the absence of an OH group at C-7 and the presence of a double bond between C-3 and C-4 (all gibbane numbering).
Diosbulbin E
Diosbulbin G
Gibberellin A22
Gibberellin A80
8-Hydroxy-3',4',5',7-tetramethoxyflavan
5'-Hydroxy-3',4',7,8-tetramethoxyflavan
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside
(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside
Gibberellin A92
3-(3,4-Dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
1,7-Bis(3,4-dihydroxyphenyl)-6-hydroxy-3-heptanone
2-Methyl-2-propanyl 4-acetoxy-5,7-dimethoxy-2-naphthoate
N-(5-FORMYL-2-METHYLPHENYL)-4-(PYRIDIN-2-YLMETHOXY)BENZAMIDE
4-benzyloxy-2-chloropyrimidine-5-boronic acid pinacol ester
Taxiresinol
A lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a 4-hydroxy-3-methoxybenzyl group at position 4. It has been isolated from Taxus yunnanensis.
Glycine, N,N-1,2-cyclohexanediylbis[N-(carboxymethyl)-
D064449 - Sequestering Agents > D002614 - Chelating Agents
buta-1,3-diene,(E)-but-2-enedioic acid,prop-2-enoic acid,styrene
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-aminooxan-2-yl]methyl acetate
spermine tetrahydrochloride
Spermine tetrahydrochloride is an endogenous metabolite. Spermine tetrahydrochloride is an endogenous metabolite.
(7S,8S)-methoxy-3,7-epoxy-8,4-oxyneolignan-4,9,9-triol
A neolignan that consists of a 2,3-dihydro-1,4-benzodioxine ring substituted by a hydroxymethyl group at position 3, a 3-hydroxypropyl group at position 7 and a 4-hydroxy-3-methoxyphenyl group at position 2. It has been isolated from Taxus yunnanensis.
Alloclamide hydrochloride
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-4H-1,2,4-triazole-3-thiol
2,6-Anhydro-3-deoxy-D-manno-heptitol 1,4,5,7-tetraacetate
2,6-Anhydro-3-deoxy-D-gluco-heptitol 1,4,5,7-tetraacetate
5-Hydroxy-11-(hydroxymethyl)-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
5,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
15-Hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid
4,5-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid
(2R,3S)-2-{[(1Z)-3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino}-3-hydroxybutanoic acid
2-(5-Benzyl-4-methyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-hexanoic acid
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine
(2R,3S)-2-[[3-(carboxymethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]-3-hydroxybutanoic acid
2-[(3-Ethyl-4-oxo-2-quinazolinyl)thio]acetic acid cyclohexyl ester
2-(2-amino-4H-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioic acid diethyl ester
(1R,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione
(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1H-pyrazol-5-one
(1R,2R,5S,8S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(1R,2R,7S,9R,14R,16R)-2-hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione
4-Hydroxy-3,7-dimethoxy-2-(3,4-dimethoxyphenyl)chroman
(1R,2R,5S,8S,9R,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
2-[[(4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Beclobrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3-O-b-D-glucoside
2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid
gibberellin A3
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.
(1r,2r)-1-(4-hydroxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propane-1,3-diol
{1-formyl-6-methylidene-5-oxo-4,12-dioxatricyclo[7.5.0.0³,⁷]tetradeca-10,13-dien-10-yl}methyl 2-methylpropanoate
(4r,4as,5r,8as)-8a-hydroxy-3,4a,5-trimethyl-8,9-dioxo-4h,5h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(3ar,4s,11ar)-10-methyl-3-methylidene-4-[(2-methylprop-2-enoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
[4-(acetyloxy)-5,10-dimethyl-2-oxo-4h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methyloxirane-2-carboxylate
(3ar,4s,5r,6s,7s,7ar)-6-ethenyl-4-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-7-yl 2-methylprop-2-enoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2s,4s,6r,10s)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol
6-ethenyl-4-hydroxy-6-methyl-3-methylidene-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-7-yl 2-methylprop-2-enoate
4-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethyl]-2h-1,3-benzodioxole
(2s,3r,4s,5r,6r)-2-{[(1s,4as,5r,7as)-5-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
8-(acetyloxy)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl acetate
1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-7-carboxylic acid
(3ar,4r,4ar,6s,7ar,9as)-6-hydroxy-3,5,8-trimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(2s,3r,4s,5s,6r)-2-{5-[(1r)-1,2-dihydroxyethyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2r,4r,5s,9s,10r,11s)-4,5-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid
(1s,2r,10r,12r,15r,16s,21r)-16-hydroxy-15-methyl-8,13,17-trioxahexacyclo[14.2.2.1¹,¹².0²,¹⁰.0⁵,⁹.0¹⁵,²¹]henicos-5(9)-ene-6,14-dione
(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
4-[5-(2-hydroxyethyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
1-[7-methoxy-3-oxo-2-(propan-2-ylidene)-1,4-benzodioxin-6-yl]ethyl 2-methylbut-2-enoate
[4-(acetyloxy)-6,10-dimethyl-2-oxo-4h,5h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
[(4s,11as)-4-(acetyloxy)-5,10-dimethyl-2-oxo-4h,8h,9h,11ah-cyclodeca[b]furan-3-yl]methyl acetate
(3ar,4r,9as,9br)-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-2,4-dihydroxybut-2-enoate
4-[3-(hydroxymethyl)-6-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxyphenol
(1s,2s,4r,7z,10s,11r)-8-formyl-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl 2-methylprop-2-enoate
2-{[2-(2,5-dihydroxycyclopentyl)furan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1-(4-hydroxyphenyl)-2-[4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy]propane-1,3-diol
{1-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(3s)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-6-sulfanylidenepiperazine-2,5-dione
(2s,3r,4r,5r,6s)-2-{[(1s,5s,6r,10s)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-methyloxane-3,4,5-triol
1-(4-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]ethane-1,2-diol
2-(hydroxymethyl)-6-{[2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol
(1s,2s,7r,9r,12s,16s)-4-(furan-3-yl)-14-hydroxy-2-methyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecane-6,11-dione
(1r,2r,4ar,5'r,8as)-5'-(5-hydroxy-2-oxo-5h-furan-3-yl)-2,5-dimethyl-2,3,4,4a,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-2',7-dione
(1s,4s,6s,9z,11r,13s,14s,18s)-9,18-dihydroxy-6,13,14-trimethyl-12,16-dioxapentacyclo[8.5.2.1⁴,¹³.0¹,¹¹.0⁴,¹¹]octadeca-2,9-diene-5,17-dione
[(1r,3r,7r,9s)-1-formyl-6-methylidene-5-oxo-4,12-dioxatricyclo[7.5.0.0³,⁷]tetradeca-10,13-dien-10-yl]methyl 2-methylpropanoate
4-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]-3,4,5-trimethoxycyclohexa-2,5-dien-1-one
(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,7ar)-5-hydroxy-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3ar,4s,9r,9ar,9bs)-9a-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,8h,9h,9bh-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
(1s,2r,4s,5r,6r,9s,12r,17r)-5-hydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-10,15-diene-7,14-dione
1,7-bis(3,4-dihydroxyphenyl)-5-hydroxyheptan-3-one
(2s,3s)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
6-hydroxy-3,5,8-trimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(2s,3r)-2-{[(5r)-3-[(carboxymethyl)imino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}-3-hydroxybutanoic acid
(1s,3r,7z,12s,13r,15r)-13-hydroxy-3,7,12-trimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione
6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3ah,4h,5h,6h,9ah,9bh-naphtho[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(2r-trans)-2,3-dihydro-2-(4-hydroxy-3-me-thoxyphenyl)-3-(hydroxymethyl)-7-hydroxy-5-benzofuran-propanol
{"Ingredient_id": "HBIN006556","Ingredient_name": "(2r-trans)-2,3-dihydro-2-(4-hydroxy-3-me-thoxyphenyl)-3-(hydroxymethyl)-7-hydroxy-5-benzofuran-propanol","Alias": "NA","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)O)CCCO)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5638","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychroman-3-ol
{"Ingredient_id": "HBIN006620","Ingredient_name": "(2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychroman-3-ol","Alias": "AO-079/15259072; MLS001178744; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chroman-3-ol; ZINC03197613; (2S,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-chromanol; SMR000477468","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=C(C=C1)C2C(CC3=C(O2)C=C(C=C3OC)OC)O)OC","Ingredient_weight": "346.37","OB_score": "51.88717188","CAS_id": "22425-55-4","SymMap_id": "SMIT04762","TCMID_id": "NA","TCMSP_id": "MOL002543","TCM_ID_id": "NA","PubChem_id": "6576809","DrugBank_id": "NA"}
(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-(3-hydroxypropyl)-3-methylol-2,3-dihydrobenzofuran-7-ol
{"Ingredient_id": "HBIN006624","Ingredient_name": "(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-(3-hydroxypropyl)-3-methylol-2,3-dihydrobenzofuran-7-ol","Alias": "MEGxp0_001133; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol; ACon1_001168; (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol; (2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O","Ingredient_weight": "346.37","OB_score": "7.751897115","CAS_id": "75775-36-9","SymMap_id": "SMIT05384","TCMID_id": "NA","TCMSP_id": "MOL003287","TCM_ID_id": "NA","PubChem_id": "11210164","DrugBank_id": "NA"}
4-hydroxy-3,5-dimethoxybenzyl alcohol 4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN010465","Ingredient_name": "4-hydroxy-3,5-dimethoxybenzyl alcohol 4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10013","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxymethyl-2,6-dimethoxyphenyl-β-D-glucopyranoside
{"Ingredient_id": "HBIN010552","Ingredient_name": "4-hydroxymethyl-2,6-dimethoxyphenyl-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41089","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-deoxycatalpol
{"Ingredient_id": "HBIN012316","Ingredient_name": "6-deoxycatalpol","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "C1C2C=COC(C2C3(C1O3)CO)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "346.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14991","TCMID_id": "5158","TCMSP_id": "NA","TCM_ID_id": "7575","PubChem_id": "129011855","DrugBank_id": "NA"}
(7s,8r)-dihydro-3'-hydroxy-8-hydroxy-methyl-7-(4-hydroxy-3-methoxyphenyl)-1'-benzofuranpropanol
{"Ingredient_id": "HBIN013474","Ingredient_name": "(7s,8r)-dihydro-3'-hydroxy-8-hydroxy-methyl-7-(4-hydroxy-3-methoxyphenyl)-1'-benzofuranpropanol","Alias": "NA","Ingredient_formula": "C19H22O6","Ingredient_Smile": "COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)O)CCCO)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15074","TCMID_id": "5635","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8α-epoxymethylacrylyloxyambrosin
{"Ingredient_id": "HBIN013624","Ingredient_name": "8\u03b1-epoxymethylacrylyloxyambrosin","Alias": "NA","Ingredient_formula": "C19H22O6","Ingredient_Smile": "CC1CC(C2C(C3(C1C=CC3=O)C)OC(=O)C2=C)OC(=O)C4(CO4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7169","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-epi-grandifloricacid
{"Ingredient_id": "HBIN013719","Ingredient_name": "8-epi-grandifloricacid","Alias": "NA","Ingredient_formula": "C15H22O9","Ingredient_Smile": "C1CC(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O","Ingredient_weight": "346.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6926","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6325299","DrugBank_id": "NA"}
