Exact Mass: 358.1319
Exact Mass Matches: 358.1319
Found 500 metabolites which its exact mass value is equals to given mass value 358.1319,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isobutylshikonin
Isobutylshikonin is a hydroxy-1,4-naphthoquinone. Isobutyrylshikonin is a natural product found in Lithospermum erythrorhizon with data available. Isobutylshikonin is a kind of shikonin pigments from hairy root culture of Lithospermum canescens[1].
Sweroside
Sweroside is a glycoside. Sweroside is a natural product found in Strychnos axillaris, Lonicera japonica, and other organisms with data available. See also: Lonicera japonica flower (part of); Menyanthes trifoliata leaf (part of); Centaurium erythraea whole (part of). Sweroside, isolated from Lonicera japonica, exhibits cytoprotective, anti-osteoporotic, and hepatoprotective effect[1][2]. Sweroside, isolated from Lonicera japonica, exhibits cytoprotective, anti-osteoporotic, and hepatoprotective effect[1][2].
Isocolumbin
Isocolumbin is found in fruits. Isocolumbin is isolated from Dioscoreophyllum cumminsii (serendipity berry). Isolated from Dioscoreophyllum cumminsii (serendipity berry). Isocolumbin is found in fruits. Columbin is a natural product found in Tinospora capillipes and Cleidion with data available. Columbin is an organic heterotricyclic compound and an organooxygen compound. (2S,4AR,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4a,5,6,6a,7,10,10a,10b-octahydro-1H-10,7-(epoxymethano)benzo[f]isochromene-4,12(2H)-dione is a natural product found in Vateria indica, Penianthus zenkeri, and other organisms with data available. Columbin is an orally active diterpenoid furanolactone from Calumbae radix, has anti-inflammatory and anti-trypanosomal effects. Columbin selectively inhibits COX-2 (EC50=53.1 μM) over COX-1 (EC50=327 μM)[1][2]. Columbin is an orally active diterpenoid furanolactone from Calumbae radix, has anti-inflammatory and anti-trypanosomal effects. Columbin selectively inhibits COX-2 (EC50=53.1 μM) over COX-1 (EC50=327 μM)[1][2].
Pinoresinol
Epipinoresinol is an enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration. It has a role as a plant metabolite and a marine metabolite. Epipinoresinol is a natural product found in Pandanus utilis, Abeliophyllum distichum, and other organisms with data available. An enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration. (+)-pinoresinol is an enantiomer of pinoresinol having (+)-1S,3aR,4S,6aR-configuration. It has a role as a hypoglycemic agent, a plant metabolite and a phytoestrogen. Pinoresinol is a natural product found in Pandanus utilis, Zanthoxylum beecheyanum, and other organisms with data available. See also: Acai fruit pulp (part of). An enantiomer of pinoresinol having (+)-1S,3aR,4S,6aR-configuration. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.907 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.905 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.897 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.895 Pinoresinol is a lignol of plant origin serving for defense in a caterpillar. Pinoresinol drastically sensitizes cancer cells against TNF-related apoptosis-inducing ligand (TRAIL) -induced apoptosis[1][2]. Pinoresinol is a lignol of plant origin serving for defense in a caterpillar. Pinoresinol drastically sensitizes cancer cells against TNF-related apoptosis-inducing ligand (TRAIL) -induced apoptosis[1][2].
Clemaphenol A
Clemaphenol A is a lignan.
(-)-Pinoresinol
(-)-pinoresinol is an enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration. It has a role as a plant metabolite. (-)-Pinoresinol is a natural product found in Dendrobium loddigesii, Forsythia suspensa, and other organisms with data available. An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration.
Matairesinol
Matairesinol belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Matairesinol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, matairesinol is found, on average, in the highest concentration in a few different foods such as sesame, burdocks, and flaxseeds, and in a lower concentration in oats, asparagus, and poppies. Matairesinol has also been detected, but not quantified in, several different foods, such as silver lindens, tamarinds, cherry tomato, skunk currants, and fireweeds. This could make matairesinol a potential biomarker for the consumption of these foods. Matairesinol is composed of gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). (-)-matairesinol is a lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). It has a role as a phytoestrogen, a plant metabolite, an angiogenesis inhibitor and an anti-asthmatic agent. It is a polyphenol, a lignan and a gamma-lactone. Matairesinol is a natural product found in Crossosoma bigelovii, Brassica oleracea var. sabauda, and other organisms with data available. See also: Arctium lappa fruit (part of); Pumpkin Seed (part of). Matairesinol is a plant lignan. It occurs with secoisolariciresinol in numerous foods such as oil seeds, whole grains, vegetables, and fruits. (-)-Matairesinol is found in many foods, some of which are caraway, pecan nut, cereals and cereal products, and longan. A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). Matairesinol confers anti-allergic effects in an allergic dermatitis mouse model. DfE-induced changes in IL-4 and IFN-γ mRNA expression in the ears of NC/Nga mice were reversed by matairesinol application[1]. Matairesinol confers anti-allergic effects in an allergic dermatitis mouse model. DfE-induced changes in IL-4 and IFN-γ mRNA expression in the ears of NC/Nga mice were reversed by matairesinol application[1].
miroestrol
Dihydrocubebin
Dihydrocubebin is found in herbs and spices. Dihydrocubebin is isolated from Piper cubeba (cubeb pepper Isolated from Piper cubeba (cubeb pepper). Dihydrocubebin is found in ucuhuba and herbs and spices.
202-791
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
CV 1808
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CV1808?(2-Phenylaminoadenosine) is a non-selective A2?adenosine receptor (A2 AR) agonist with Kis of 76 and 1450 nM for A2A and A3 adenosine receptor subtypes, respectively[1]. CV1808?(2-Phenylaminoadenosine) is a non-selective A2?adenosine receptor (A2 AR) agonist with Kis of 76 and 1450 nM for A2A and A3 adenosine receptor subtypes, respectively[1].
Glicophenone
Glicophenone is a stilbenoid. Glicophenone is a natural product found in Glycyrrhiza uralensis with data available. Glicophenone is found in herbs and spices. Glicophenone is a constituent of Chinese licorice, Glycyrrhiza uralensis Constituent of Chinese licorice, Glycyrrhiza uralensis. Glicophenone is found in herbs and spices.
Pinoresinol
4-[6-(4-Hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol is a natural product found in Zanthoxylum riedelianum, Forsythia suspensa, and other organisms with data available. Pinoresinol is a lignol of plant origin serving for defense in a caterpillar. Pinoresinol drastically sensitizes cancer cells against TNF-related apoptosis-inducing ligand (TRAIL) -induced apoptosis[1][2]. Pinoresinol is a lignol of plant origin serving for defense in a caterpillar. Pinoresinol drastically sensitizes cancer cells against TNF-related apoptosis-inducing ligand (TRAIL) -induced apoptosis[1][2].
Sanshodiol
Sanshodiol is found in herbs and spices. Sanshodiol is isolated from bark of Zanthoxylum piperitum (Japanese pepper tree
(7'x,8'x)-4,7'-Epoxy-3,8'-bilign-7-ene-3,5'-dimethoxy-4',9,9'-triol
(7x,8x)-4,7-Epoxy-3,8-bilign-7-ene-3,5-dimethoxy-4,9,9-triol is found in coffee and coffee products. (7x,8x)-4,7-Epoxy-3,8-bilign-7-ene-3,5-dimethoxy-4,9,9-triol is isolated from Silybum marianum (milk thistle). Isolated from Silybum marianum (milk thistle). (7x,8x)-4,7-Epoxy-3,8-bilign-7-ene-3,5-dimethoxy-4,9,9-triol is found in coffee and coffee products and green vegetables.
Phlorisobutyrophenone 2-glucoside
Phlorisobutyrophenone 2-glucoside is found in alcoholic beverages. Phlorisobutyrophenone 2-glucoside is a constituent of hops (Humulus lupulus)
5-Deoxykievitone hydrate
5-Deoxykievitone hydrate is found in gram bean. 5-Deoxykievitone hydrate is isolated from Phaseolus mungo (mung bean). Isolated from Phaseolus mungo (mung bean). 5-Deoxykievitone hydrate is found in pulses and gram bean.
2-Phenylaminoadenosine
Selective A2 adenosine receptor agonist; potent coronary vasodilator; weak inhibitor of adenosine uptake by rat cerebral cortical synaptosomes; used as a vasodilator agent; is a potent anti-inflammatory agent, acting at its four G protein coupled receptors. Topical treatment of adenosine to foot wounds in diabetes mellitus has been shown in lab animals to drastically increase tissue repair and reconstruction. Topical administration of adenosine for use in wound healing deficiencies and diabetes mellitus in humans is currently under clinical investigation. Adenosine is a nucleoside comprised of adenine attached to a ribose (ribofuranose) moiety via a beta-N9-glycosidic bond. Selective A2 adenosine receptor agonist; potent coronary vasodilator; weak inhibitor of adenosine uptake by rat cerebral cortical synaptosomes; used as a vasodilator agent; is a potent anti-inflammatory agent, acting at its four G protein coupled receptors. Topical treatment of adenosine to foot wounds in diabetes mellitus has been shown in lab animals to drastically increase tissue repair and reconstruction. Topical administration of adenosine for use in wound healing deficiencies and diabetes mellitus in humans is currently under clinical investigation. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CV1808?(2-Phenylaminoadenosine) is a non-selective A2?adenosine receptor (A2 AR) agonist with Kis of 76 and 1450 nM for A2A and A3 adenosine receptor subtypes, respectively[1]. CV1808?(2-Phenylaminoadenosine) is a non-selective A2?adenosine receptor (A2 AR) agonist with Kis of 76 and 1450 nM for A2A and A3 adenosine receptor subtypes, respectively[1].
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)-
Epipinoresinol
(+)-pinoresinol is a member of the class of compounds known as furanoid lignans. Furanoid lignans are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units (+)-pinoresinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-pinoresinol can be found in a number of food items such as chanterelle, pecan nut, pine nut, and common hazelnut, which makes (+)-pinoresinol a potential biomarker for the consumption of these food products. Pinoresinol is a lignol of plant origin serving for defense in a caterpillar. Pinoresinol drastically sensitizes cancer cells against TNF-related apoptosis-inducing ligand (TRAIL) -induced apoptosis[1][2]. Pinoresinol is a lignol of plant origin serving for defense in a caterpillar. Pinoresinol drastically sensitizes cancer cells against TNF-related apoptosis-inducing ligand (TRAIL) -induced apoptosis[1][2].
Miroestrol
Triptonide
Triptonide
Triptonide is a diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii. It has a role as an antineoplastic agent, an anti-inflammatory agent and an immunosuppressive agent. It is a cyclic ketone, an organic heteroheptacyclic compound, a diterpene triepoxide and a butenolide. Triptonide is a natural product found in Tripterygium hypoglaucum and Tripterygium wilfordii with data available. Triptonide (NSC 165677) is a natural product identified in Tripterygium wilfordii Hook F.. Triptonide is a Wnt signaling inhibitor with an IC50 of appropriately 0.3?nM. Triptonide has immunosuppression, anti-inflammatory, anti-fertility, neuroprotective and anti-lymphoma effects[1][2]. Triptonide (NSC 165677) is a natural product identified in Tripterygium wilfordii Hook F.. Triptonide is a Wnt signaling inhibitor with an IC50 of appropriately 0.3?nM. Triptonide has immunosuppression, anti-inflammatory, anti-fertility, neuroprotective and anti-lymphoma effects[1][2].
[3aR-[3aalpha,4beta(R*),6aalpha,9aalpha,9bbeta]]-2,3,3a,4,5,6,6a,7,9a,9b-Decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester 2,5-dihydro-5-hydroxy-3-furancarboxylic acid
Brosimacutin A
3,3-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
4,6,4-Trihydroxy-2,3-dimethoxy-3-prenylbenzophenone
[3aR-[3aalpha,4beta(R*),9aalpha,9bbeta]]-2,5-Dihydro-5-hydroxy-2,3,3a,4,5,7,9a,9b-octahydro-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 3-furancarboxylic acid
Scabertopin
3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate
(7S,8R,1S,5R,6R)-Delta2,8-5,6-dihydroxy-3-methoxy-3,4-methylenedioxy-4-oxo-8.1,7.5-neolignan
(5S,6R,7R,8R,2RS,3RS)-2-oxo-8-(2-methyl-2,3-epoxybutanoyl)-guaia-1(10),3,11(13)-trien-6,12-olide
(+)-2-(3,4-dimethoxyphenyl)-6-(3,4-dihydroxyphenyl)-3,7-dioxobicyclo<3.3.0>octane
2,3,4,4,alpha-pentahydroxy-3-prenyldihydrochalcone
12,16-epoxy-6,11,14,17-tetrahydroxy-17(15-16)abeo-5,8,11,13,15-abietapentaen-7-one
12,14-Dihydroxy-7-oxo-2,3-seco-19(4->3)-abeo-4(18),8,11,13-abietatetraen-2,11-olide|Salvipalolide
8-hydroxy-15,16-epoxy-cis-cleroda-3,13(16)14-triene-18,6:20,12-diolide
3-(3,5-dimethoxy-4-hydroxyphenyl)propanol-trans-coumarate|3-<3,5-dimethoxy-4-hydroxyphenyl>propanol-trans-coumarate
6-keto-teuscordin|6-ketoteuscordin|6-ketoteuscorodin
2-[4-[hydroxy(oxiran-2-yl)methyl]-2-methoxyphenyl]-4-(3-hydroxyprop-1-enyl)-6-methoxyphenol
2,4-dihydroxy-6-methoxy-3-methylacetophenone 4-O-beta-D-glucopyranoside|2,4-Dihydroxy-6-methoxy-3-methylacetophenone-4-O-??-D-glucopyranoside
8-(3,3-dimethylallyl)-(+)-catechin|8-(3,3-Dimethylallyl)catechin
8beta-angeloyloxy-5beta,10beta-epoxy-3-oxo-germacrane-1Z,4(15),11(13)-trien-6alpha,12-olide|helivypolide F
(+)-7,4,4,5-tetra-O-methyl-2,3-trans-3,4-trans-peltogynol
9beta-hydroxy-8beta-tiglinoyloxy-2-oxo-lasiolaenin
methyl 3-(2-O-beta-D-glucopyranosyl-4-hydroxyphenyl)propanoate
(1(10)E,4E,8Z)-8-(angeloyloxy)-6alpha,15-dihydroxy-14-oxogermarca-1(10),4,8,11(13)-tetraen-12-oic acid 12,6-lactone|(2Z)-2-methylbut-2-enoic acid (3aS,4Z,6E,10E,11aR)-6-formyl-2,3,3a,8,9,11a-hexahydro-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
2-O-(2)-??-D-Glucopyranosyl-4,6-dimethoxy phenylenthanone|4,6-dimethoxyacetophenone-2-O-beta-D-glucoside
2E-3-(4-hydroxyisopentenyl)-2,4,2,4-tetrahydroxychalcone
isomurranganon senecioate|Isomurranganone senecioate
6-(3,3-dimethylallyl)-(+)-catechin|6-(3,3-Dimethylallyl)catechin
(16R)-12,16-epoxy-11,14,17-trihydroxy-17(15->16)-abeo-abieta-5,8,11,13-tetraene-2,7-dione|17-hydroxyteuvincen-5(6)-enone G
2-Methoxy-5-[[1-(3-methoxy-4-hydroxyphenyl)-tetrahydro-1H,3H-furo[3,4-c]furan]-4-yl]phenol
negundin B
A lignan that consists of 7,8-dihydronaphthalen-2-ol substituted by a 4-hydroxy-3-methoxyphenyl group at position 8, hydroxymethyl groups at positions 6 and 7 and a methoxy group at position 3 (the 7R,8S stereoisomer). Isolated from Vitex negundo, it exhibits inhibitory activity against lipoxygenase.
(7S,8R,1S,5R,6R)-Delta2,8-3,6-dihydroxy-5-methoxy-3,4-methylenedioxy-4-oxo-8.1,7.5-neolignan|rel-(7R,8S,1R,2R,3S)-Delta8-2,5-dihydroxy-3-methoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan
2,4,4-trihydroxy-3-(2,3-dihydroxy-3-methylbutyl)chalcone|brosimacutin M
2-Oxoligustrin-8-((2R*,3R*)-2-methyl-2,3-epoxybutyrat)|2-Oxoligustrin-8-<(2R*,3R*)-2-methyl-2,3-epoxybutyrat>
hydroquinone O-[6-(3-hydroxyisobutanoyloxy)]-beta-D-galactopyranoside
3-(4-beta-D-glucopyranosyloxy-3-methoxy-phenyl)-propionic acid|3-(4-beta-D-Glucopyranosyloxy-3-methoxy-phenyl)-propionsaeure
3-[2,3-Dihydro-2-(3-methoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran-5-yl]propanal
5S,6R,7R,8R,11R-2,14-dioxo-8-tigloyloxyguaia-1(10),3-diene-6,12-olide
2-Methoxy-4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-2-yl]phenol
(2SR,6RS)-6-[7-hydroxy-8-(4-hydroxyphenyl)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-tetrahydropyran-4-one|engelheptanoxide B
(E)-1-(3,4-dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)hept-4-en-3-one|gingerenone D
2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-3-methoxy-4-hydroxyphenyl ester
3-hydroxy-1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)propan-1-one|specphenoside A
(2S)-2,3-dihydro-5,7-dihydroxy-2-[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-4H-1-benzopyran-4-one|(2S)-5,7,4?-trihydroxy-3?-(3-hydroxy-3-methylbutyl)flavanone|3?-(3-hydroxy-3-methylbutyl)naringenin
(-)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone 3-O-beta-D-glucopyranoside|3-Me ether,3-O-beta-D-glucopyranoside-1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone|3,4-dihydroxy3methoxyropiophenone 3-O-beta-D-glucopyranoside|beta-hydroxypropiovanillone 3-O-beta-D-glucopyranoside
9,9-dihydroxy-3,4-methylenedioxy-3-methoxy<7-O-4,8-5>neolignan
(1R*,5S*,6R*,7R*,8R*,10R*)-1-hydroxy-8-(3-furoyloxy)-eudesma-4(15),11(13)-dien-6,12-olide
4,4,6-Trihydroxy-2,3-dimethoxy-3-prenylbenzophenone
(Z)-4xi,9xi-Diacetoxy-6xi,7xi-epoxy-5xi-hydroxy-8-oxododeca-2-enoic acid
1-(1,3-Benzodioxol-5-yl)-2,3-dimethyl-6-methoxytetralin-1,2,7-triol
3-hydroxy-8beta-angeloyloxy-1,10-dehydroarbiglovin
(R)-4-hydroxy-4-(3-hydroxyphenyl)butyric acid 4-O-beta-D-glucopyranoside|juglanoside H
4,9a-dihydroxy-3,7-dimethyl-5,9-dioxo-7-vinyl-1,2,3,5,7,8,9,9a,10,10a-decahydrocyclopropa[d]phenanthrene-3-carboxylic acid|myrocin A
2-isobutyrylphloroglucinol-5-O-beta-D-glucopyranoside|5-[(2-methylpropanoyl)phloroglucinyl]-beta-D-glucopyranoside
(2R,3R)-2-(4-hydroxy-3-methoxybenzyl)-3-(3-hydroxy-4-methoxybenzyl)butyrolactone|matairesinol
11-Methoxy-1-methoxycarbonyl-8,13-dihydro-7H-indolo[2,3:3,4]pyrido[1,2-b]isochinolinium-betain|11-methoxy-1-methoxycarbonyl-8,13-dihydro-7H-indolo[2,3:3,4]pyrido[1,2-b]isoquinolinium betaine
12,16-epoxy-6,11,14,15-tetrahydroxy-17(15-16)abeo-3alpha,18-cyclo-5,8,11,13-abietatetraen-7-one
alpha-{(3S*,4R*)--tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]furan-3-yl}-1,3-benzodioxole-5-methanol
(1S,2S,3R,4S)-1,4-di(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutane-1,4-diol|saucerneol I
Methyl syringate 4-O-alpha-L-rhamnopyranoside|Methyl Syringate alpha-L-Rhamnoside
2-n-Propyl-4-hydroxy-6-O-beta-L-glucopyranosylbenzoic acid
Dihydrocubebin
Dihydrocubebin is a glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration). It is a lignan, a member of butanediols, a glycol and a member of benzodioxoles. Dihydrocubebin is a natural product found in Podolepis rugata, Horsfieldia irya, and other organisms with data available. A glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration).
Isoatriplicolide tiglate
Isoatriplicolide tiglate is a natural product found in Helianthus tuberosus and Helianthus schweinitzii with data available.
(-)-DCA
(-)-dehydrodiconiferyl alcohol is a dehydrodiconiferyl alcohol that has (2R,3S)-configuration. It is a natural product isolated from several plant species including Aglaia foveolata, Viburnum erosum and Rosa multiflora. It has a role as a plant metabolite. It is an enantiomer of a (+)-dehydrodiconiferyl alcohol. (-)-Dehydrodiconiferyl Alcohol is a natural product found in Campylotropis hirtella, Kadsura coccinea, and other organisms with data available. A dehydrodiconiferyl alcohol that has (2R,3S)-configuration. It is a natural product isolated from several plant species including Aglaia foveolata, Viburnum erosum and Rosa multiflora.
G(8-5)G
Dehydrodiconiferyl alcohol is a guaiacyl lignin obtained by cyclodimerisation of coniferol. It has a role as a plant metabolite and an anti-inflammatory agent. It is a member of 1-benzofurans, a primary alcohol, a guaiacyl lignin and a member of guaiacols. It is functionally related to a coniferol. Dehydrodiconiferyl alcohol is a natural product found in Urtica dioica, Arabidopsis thaliana, and other organisms with data available. A guaiacyl lignin obtained by cyclodimerisation of coniferol.
rac Matairesinol
(+)-Matairesinol is a natural product found in Haplophyllum cappadocicum, Stellera chamaejasme, and other organisms with data available.
3,4,2,4,6-Pentamethoxychalcone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.169 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.168
Epipinoresinol
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.083 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.823 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.929 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.928
Matairesinol
Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 17 INTERNAL_ID 17; CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 0.920 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.921 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.910 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.909 Matairesinol confers anti-allergic effects in an allergic dermatitis mouse model. DfE-induced changes in IL-4 and IFN-γ mRNA expression in the ears of NC/Nga mice were reversed by matairesinol application[1]. Matairesinol confers anti-allergic effects in an allergic dermatitis mouse model. DfE-induced changes in IL-4 and IFN-γ mRNA expression in the ears of NC/Nga mice were reversed by matairesinol application[1].
[2-(7-methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
Columbin
Columbin is an organic heterotricyclic compound and an organooxygen compound. (2S,4AR,6aR,7R,10R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4a,5,6,6a,7,10,10a,10b-octahydro-1H-10,7-(epoxymethano)benzo[f]isochromene-4,12(2H)-dione is a natural product found in Vateria indica, Penianthus zenkeri, and other organisms with data available. Columbin is an orally active diterpenoid furanolactone from Calumbae radix, has anti-inflammatory and anti-trypanosomal effects. Columbin selectively inhibits COX-2 (EC50=53.1 μM) over COX-1 (EC50=327 μM)[1][2]. Columbin is an orally active diterpenoid furanolactone from Calumbae radix, has anti-inflammatory and anti-trypanosomal effects. Columbin selectively inhibits COX-2 (EC50=53.1 μM) over COX-1 (EC50=327 μM)[1][2].
C20H22O6_Benzoic acid, 2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-3-(3-methyl-2-buten-1-yl)
C20H22O6_2-Butenoic acid, 2-methyl-, (3aR,4S,11E,12aR)-2,3,3a,4,5,9,10,12a-octahydro-11-methyl-3-methylene-2,7-dioxo-7H-9,6-methenofuro[2,3-f]oxacycloundecin-4-yl ester, (2Z)
C20H22O6_11-Methyl-2,7-bis(methylene)-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-1(13)-en-9-yl (2Z)-2-methyl-2-butenoate
C20H22O6_4-Hydroxy-5,8-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,4a,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl 3-methyl-2-butenoate
C16H22O9_3-[2-(beta-D-Glucopyranosyloxy)-4-methoxyphenyl]propanoic acid
C20H22O6_(1R,2S,3S,5S,11R,12R)-5-(3-Furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0~2,11~.0~3,8~]hexadec-15-ene-7,13-dione
C16H22O9_beta-D-Glucopyranoside, 2-(1,3-benzodioxol-5-yl)-3-hydroxypropyl
C20H22O6_Cyclopropa[d]phenanthrene-3-carboxylic acid, 7-ethenyl-1,2,3,5,7,8,9,9a,10,10a-decahydro-4,9a-dihydroxy-3,7-dimethyl-5,9-dioxo-, (3R,7S,9aR,9bR,10aR)
C20H22O6_2-Butenoic acid, 2-methyl-, (3aR,4R,5R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-4-hydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-5-yl ester, (2Z)
C16H22O9_Methyl 4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dimethoxybenzoate
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
(9-hydroxy-5,8-dimethyl-1-methylidene-2,6-dioxo-4,8a,9,9a-tetrahydro-3aH-azuleno[6,7-b]furan-4-yl) 3-methylbut-2-enoate
(1R,2S,3S,5S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846589]
(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one [IIN-based: Match]
Triethylene glycol dibenzoate
CONFIDENCE standard compound; INTERNAL_ID 371; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9479; ORIGINAL_PRECURSOR_SCAN_NO 9478 CONFIDENCE standard compound; INTERNAL_ID 371; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9489; ORIGINAL_PRECURSOR_SCAN_NO 9486
5-[6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol_major
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate_major
(1R,2S,3S,5S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione_major
3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid_major
(9-hydroxy-5,8-dimethyl-1-methylidene-2,6-dioxo-4,8a,9,9a-tetrahydro-3aH-azuleno[6,7-b]furan-4-yl) 3-methylbut-2-enoate_major
11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0?,?]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate
(1R,2S,3S,5S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,?]hexadec-15-ene-7,13-dione
Phlorisobutyrophenone 2-glucoside
Glicophenone
(7'x,8'x)-4,7'-Epoxy-3,8'-bilign-7-ene-3,5'-dimethoxy-4',9,9'-triol
Methyl 4-[(6-deoxy-?-L-mannopyranosyl)oxy]-3,5-dimethoxybenzoate
S-3-PHENYL-2-[N-(TRIFLUOROACETYL)PYRROLIDIN-2-YL]INDOLE
Dimethoxanate
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
4,4-(PIPERAZINE-1,4-DIYL)BIS(BUTANE-1-SULFONIC ACID)
[1-ethyl-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxopyridin-3-yl]methylurea
N-(2-CHLORO-PYRIDIN-3-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
Ethyl 3-O-benzoyl-2-deoxy-2,2-difluoro-4,5-O-isopropylidene-D-ery thro-pentonate
Benzoic acid,4-[(butoxycarbonyl)oxy]-, 4-ethoxyphenyl ester
(R)-BENZYL (4-(METHYLAMINO)-4-OXO-1-(PHENYLTHIO)BUTAN-2-YL)CARBAMATE
BENZYL 4,6-O-BENZYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
BIS(PENTAMETHYLCYCLOPENTADIENYL)STRONTIUM, DIMETHOXYETHANE ADDUCT
1-Methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione
isopropyl (4S)-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
3,4-Bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
2-Hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methyl-phenoxy]-3-(3-methylbut-2-enyl)benzoic acid
5-O-Methylhierochin D
A dehydrodiconiferyl alcohol that has (2S,3R)-configuration. A natural product isolated from several plant species including Allium sativum and Codonopsis pilosula.
Pterolinus H
A cyclic ketone that is cyclohexa-2,5-dien-1-one substituted by a methoxy group at position 5, a 2-oxopropyl group at position 4, a hydroxy group at position 4 and a prop-2-en-1-yl group at position 2 which in turn is substituted by s a 3-hydroxy-4-methoxyphenyl group at position 1 . It has been isolated from Pterocarpus santalinus.
3,5-Dimethoxy-4-[(alpha-L-rhamnopyranosyl)oxy]benzoic acid methyl ester
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-2-furancarboxamide
N-(3,4-dimethylphenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide
N-[3-[(cyclopropylamino)-oxomethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]-2-furancarboxamide
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
[4-(4-Hydroxyphenyl)-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone
ethyl 2-{[(E)-(2-hydroxy-5-methylphenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
2-(2,4-dimethylphenoxy)-N-[(5-ethyl-2-hydroxyanilino)-sulfanylidenemethyl]acetamide
methyl (1R,9S,10S,11S)-5-(2-fluorophenyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
[2-(7-Methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate
methyl (1S,9R,10R,11R)-5-(2-fluorophenyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
4,8,14-Trihydroxy-17-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
N-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
(11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) (Z)-2-methylbut-2-enoate
(2S)-2beta-(3-Furyl)-7-hydroxy-6aalpha,10bbeta-dimethyl-10beta,7beta-(epoxymethano)-1,2,4a,5,6,6a,7,10,10aalpha,10b-decahydro-4H-naphtho[2,1-c]pyran-4,12-dione
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] heptanoate
Isocolumbin
(3R,13S,17R,18S)-7,13,16,17-tetrahydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4(9),5,7,11-tetraen-14-one
2-[6-amino-2-(phenylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(7x,8x)-4,7-Epoxy-3,8-bilign-7-ene-3,5-dimethoxy-4,9,9-triol
(-)-Matairesinol
A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).
JHU37152
JHU37152 is a potent and brain-penetrant DREADD agonist, with EC50s of 5?nM and 0.5?nM for hM3Dq and hM4Di DREADDs in HEK-293 cells, respectively. JHU37152 exhibits selective [3H]Clozapine displacement from DREADDs and not from other Clozapine-binding sites in mice brain tissue[1].
JHU37160
JHU37160 is a potent and brain-penetrant DREADD agonist, with EC50s of 18.5?nM and 0.2?nM for hM3Dq and hM4Di DREADDs in HEK-293 cells, respectively. JHU37160 exhibits selective [3H]Clozapine displacement from DREADDs and not from other Clozapine-binding sites in mice brain tissue[1].
5-(furan-3-yl)-7'-methyl-12',14'-dioxaspiro[oxolane-3,6'-tetracyclo[7.4.1.0¹,¹⁰.0⁵,¹⁰]tetradecane]-2,13'-dione
7-methylidene-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(4s,4ar,5s,7s,8s,8as)-3,4,4a,5,6,7,8,8a-octahydro-2h-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-4,5,7,8-tetrol
(3ar,5's,6as,7r,8r,10ar)-5'-(furan-3-yl)-8-methyl-octahydrospiro[naphtho[4,4a-c]furan-7,3'-oxolane]-2',3,10-trione
11-hydroxy-13-isopropyl-18-methyl-4,9,10-trioxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2(6),12,15(19)-triene-5,14-dione
(1r,4ar,7ar)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(1s)-1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl 3-methylbut-2-enoate
6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-2-one
(5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-(4-hydroxy-3-methoxyphenyl)nonane-3,4-dione
6-[(2r,3r,4s)-4-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-2h-1,3-benzodioxol-5-ol
3-[(2s,3s)-2-(2h-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
(2s,3s,4e,6s,7s)-2-(acetyloxy)-6,7-dihydroxy-7-[(2r,3s)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-4-en-3-yl acetate
(2r,3s)-2,3-bis(2h-1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
(3ar,4r,6ar,9ar,9br)-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (5s)-5-hydroxy-2,5-dihydrofuran-3-carboxylate
4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-1-benzofuran-2-yl]-2-methoxyphenol
(1r,3s,7r,8r,9z)-1,10-dimethyl-6-methylidene-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-9,11-dien-8-yl (2e)-2-methylbut-2-enoate
(2e)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-en-1-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-(3,4-dihydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
1-(2,6-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-methylpropan-1-one
(1s,2r,3s,6r,7s,13r,15s)-6-ethenyl-10-methoxy-2,6-dimethyl-9,14,16-trioxapentacyclo[10.5.1.0²,¹⁵.0³,¹³.0⁷,¹³]octadeca-10,12(18)-diene-8,17-dione
(1r,5s,8r,9r)-8-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-methyl-3-(prop-2-en-1-yl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
4-{7-[(3-hydroxy-4-methoxyphenyl)methyl]-1,5-dioxaspiro[2.4]heptan-4-yl}-2-methoxyphenol
[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (2s)-3-hydroxy-2-methylpropanoate
(3r,4'r,5s,6'r,8's,12'r)-5-(furan-3-yl)-12'-(hydroxymethyl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
8-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2r)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one
4-hydroxy-2-propyl-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
(3r,4s)-6-hydroxy-7-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-8-one
3-{2-[4-(acetyloxy)-3-methoxyphenyl]ethyl}-5-methoxyphenyl acetate
(2s)-8-[(2s)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
5'-(furan-3-yl)-8-methyl-octahydrospiro[naphtho[4,4a-c]furan-7,3'-oxolane]-2',3,10-trione
4-(furan-3-yl)-11-hydroxy-2,10-dimethyl-5,13-dioxatetracyclo[8.6.0.0²,⁷.0¹¹,¹⁵]hexadec-7-ene-6,12-dione
3-[(3,4-dihydroxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
1,14-bis(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate
(1s,2s,4s,5s,7s,9s,11s,13s)-7-isopropyl-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.0²,⁴.0²,⁹.0⁵,⁷.0⁹,¹¹.0¹⁴,¹⁸]icos-14(18)-ene-8,17-dione
4-(4-hydroxy-3-methoxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(1r)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-en-1-yl butanoate
(1r,2r,4r,7r,9r,10r,14r)-7-(furan-3-yl)-2-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-ene-5,15-dione
4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate
methyl 2-{6-[(2e)-but-2-en-2-yl]-2,4-dihydroxy-3-methylphenoxy}-4-hydroxy-6-methylbenzoate
7-(furan-3-yl)-3-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-13-ene-5,15-dione
5-(furan-3-yl)-12'-(hydroxymethyl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
(3ar,4r,9as,9br)-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (5s)-5-hydroxy-2,5-dihydrofuran-3-carboxylate
(5e)-10-[2-(furan-3-yl)-2-oxoethyl]-10-methyl-4-methylidenecyclodeca-5,7-diene-1,5-dicarboxylic acid
2-(4-hydroxy-3-methoxyphenyl)-3,6-bis(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
(2s,3r,5ar,7r,8s,9s,9ar)-2-(4-hydroxy-3-methoxyphenyl)-7-(hydroxymethyl)-octahydropyrano[2,3-b][1,4]dioxepine-3,8,9-triol
(1r,2s,3s,5r,7r,11s,13r,15s,17r,19s)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.0¹,¹⁵.0²,¹¹.0³,⁵.0⁷,¹¹]nonadecan-8-one
5-(furan-3-yl)-6'-hydroxy-6',12'-dimethyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-1'(11')-ene-2,2'-dione
(1s,2r,3s,5r,7r,11s,13r,15r,17r,19s)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.0¹,¹⁵.0²,¹¹.0³,⁵.0⁷,¹¹]nonadecan-8-one
(2z,4r,8s,9r,11s)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate
1-(7-methoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl 3-methylbut-2-enoate
(4s,5s)-4,5-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one
(11br)-5,7,11-trihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1h,2h,3h-phenanthro[3,2-b]furan-6-one
(1s,2r,3r,5r,8s,11s,12s)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
(1s,2s,5r,9s,12s,15s,17r)-5-ethenyl-2,9-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.0¹,¹⁵.0²,⁷.0¹²,¹⁷]heptadec-6-ene-3,8,11-trione
8-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-methyl-3-(prop-2-en-1-yl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
1-(2,6-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
(1r,2r,3s,5r,7r,11s,13r,15r,17r,19s)-17-(furan-3-yl)-19-methyl-4,9,14,16-tetraoxahexacyclo[11.5.1.0¹,¹⁵.0²,¹¹.0³,⁵.0⁷,¹¹]nonadecan-8-one
1-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propane-1,2-diol
2-[(2s,3s)-3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]prop-2-en-1-yl 3-methylbutanoate
3-(4-hydroxy-3,5-dimethoxyphenyl)propyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
3-(4-methoxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acid
7-ethenyl-7-methyl-5,12-dimethylidene-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]dodecan-8-yl 2-methylbut-2-enoate
7-(2h-1,3-benzodioxol-5-yl)-3,8-dihydroxy-1-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one
(1r,2s,3s,5s,8s,11r,12r)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
5-hydroxy-9-methyl-3,6-dimethylidene-2,7-dioxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate
methyl 3,5-dimethoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoate
2,3,4,5,6-pentahydroxyhexyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2',4',6'-trihydroxy-3'-methylacetophenone; 6'-me ether,4'-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN004246","Ingredient_name": "2',4',6'-trihydroxy-3'-methylacetophenone; 6'-me ether,4'-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H22O9","Ingredient_Smile": "NA","Ingredient_weight": "358.34","OB_score": "NA","CAS_id": "145194-40-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8908","PubChem_id": "NA","DrugBank_id": "NA"}
2,4-dihydroxy-6-methoxy-3-methyl-acetophenone-4-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN004325","Ingredient_name": "2,4-dihydroxy-6-methoxy-3-methyl-acetophenone-4-o-beta-d-glucopyranoside","Alias": "2,4-dihydroxy-6-methoxy-3-methylaceto-phenone-4-o-\u03b2-d-glucopyranoside","Ingredient_formula": "C16H22O9","Ingredient_Smile": "CC(=O)C1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25893;5988","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-(2)-β-d-glucopyranosyl-4,6-dimethoxyphenylenthanone
{"Ingredient_id": "HBIN006160","Ingredient_name": "2-o-(2)-\u03b2-d-glucopyranosyl-4,6-dimethoxyphenylenthanone","Alias": "NA","Ingredient_formula": "C16H22O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8624","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-β-d-glucosyloxy-4-methoxybenzene-propanoicacid
{"Ingredient_id": "HBIN006205","Ingredient_name": "2-o-\u03b2-d-glucosyloxy-4-methoxybenzene-propanoicacid","Alias": "NA","Ingredient_formula": "C16H22O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8756","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[3,3',4,4'-tetrahydro-6,6'-dimethoxy-3,3'-bi-2H-benzopyran]-4,4'-diol
{"Ingredient_id": "HBIN007077","Ingredient_name": "[3,3',4,4'-tetrahydro-6,6'-dimethoxy-3,3'-bi-2H-benzopyran]-4,4'-diol","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "COC1=CC2=C(C=C1)OCC(C2O)C3COC4=C(C3O)C=C(C=C4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41975","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-angeloylhamaudol
{"Ingredient_id": "HBIN009121","Ingredient_name": "3-o-angeloylhamaudol","Alias": "3-o-angeloyl-hamaudol","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1(C)C","Ingredient_weight": "358.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18500","TCMID_id": "1211;24030","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "56643444","DrugBank_id": "NA"}
3'-O-angeloylhamaudol
{"Ingredient_id": "HBIN009122","Ingredient_name": "3'-O-angeloylhamaudol","Alias": "3'-o-angeloylhamaudol; AC1NSXB0; (5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1(C)C","Ingredient_weight": "358.42","OB_score": "12.00659883","CAS_id": "NA","SymMap_id": "SMIT01203","TCMID_id": "30606","TCMSP_id": "MOL011736","TCM_ID_id": "24344","PubChem_id": "NA","DrugBank_id": "NA"}
3'-o-demethyldenudanolide b; 3'-me ether
{"Ingredient_id": "HBIN009312","Ingredient_name": "3'-o-demethyldenudanolide b; 3'-me ether","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8014","PubChem_id": "NA","DrugBank_id": "NA"}
4,6,4'-trihydroxy-2,3'-dimethoxy-3-prenyl-benzophenone
{"Ingredient_id": "HBIN010052","Ingredient_name": "4,6,4'-trihydroxy-2,3'-dimethoxy-3-prenyl-benzophenone","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC(=CCC1=C(C=C(C(=C1OC)C(=O)C2=CC(=C(C=C2)O)OC)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21699","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,7'-epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'r,8'r)-form,3',5-di-me ether
{"Ingredient_id": "HBIN010120","Ingredient_name": "4,7'-epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'r,8'r)-form,3',5-di-me ether","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "NA","Ingredient_weight": "358.39","OB_score": "NA","CAS_id": "133318-47-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7886","PubChem_id": "NA","DrugBank_id": "NA"}
4αh-polystachyne d
{"Ingredient_id": "HBIN010198","Ingredient_name": "4\u03b1h-polystachyne d","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17672","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-hydroxyteuscordin
{"Ingredient_id": "HBIN012280","Ingredient_name": "6\u03b2-hydroxyteuscordin","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "CC1CC(C23COC(=O)C2=CCCC3C14CC(OC4=O)C5=COC=C5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10761","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-methyl-n-butyrylshijonin
{"Ingredient_id": "HBIN015607","Ingredient_name": "alpha-methyl-n-butyrylshijonin","Alias": "NA","Ingredient_formula": "C20H22O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25518","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
