Exact Mass: 376.1421
Exact Mass Matches: 376.1421
Found 500 metabolites which its exact mass value is equals to given mass value 376.1421,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ailanthone
Ailanthone is a triterpenoid. Ailanthone (Δ13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69?nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309?nM). Ailanthone (Δ13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69?nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309?nM).
Loganic_acid
Loganic acid is a cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively It has a role as a plant metabolite. It is a cyclopentapyran, an alpha,beta-unsaturated monocarboxylic acid and a glucoside. It is a conjugate acid of a loganate. Loganic acid is a natural product found in Strychnos axillaris, Strychnos cocculoides, and other organisms with data available. A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively KEIO_ID L043 Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2]. Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2].
Riboflavin (Vitamin B2)
Riboflavin or vitamin B2 is an easily absorbed, water-soluble micronutrient with a key role in maintaining human health. Like the other B vitamins, it supports energy production by aiding in the metabolizing of fats, carbohydrates, and proteins. Vitamin B2 is also required for red blood cell formation and respiration, antibody production, and for regulating human growth and reproduction. It is essential for healthy skin, nails, hair growth and general good health, including regulating thyroid activity. Riboflavin is found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables. Riboflavin is yellow or orange-yellow in color and in addition to being used as a food coloring it is also used to fortify some foods. It can be found in baby foods, breakfast cereals, sauces, processed cheese, fruit drinks and vitamin-enriched milk products. The richest natural source is yeast. It occurs in the free form only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin adenine dinucleotide. Riboflavin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=83-88-5 (retrieved 2024-07-01) (CAS RN: 83-88-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient. Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient.
Propiomazine hydrochloride
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
1,2-Anhydridoniveusin
1,2-Anhydridoniveusin is found in fats and oils. 1,2-Anhydridoniveusin is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). 1,2-Anhydridoniveusin is found in sunflower and fats and oils.
(1x,2x)-Guaiacylglycerol 2-glucoside
(1x,2x)-Guaiacylglycerol 2-glucoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Carissanol
Carissanol is found in fruits. Carissanol is a constituent of Carissa edulis (agam)
(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide
(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is found in fats and oils. (1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). (1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide is found in fats and oils.
(1x,2x)-Guaiacylglycerol 3-glucoside
(1x,2x)-Guaiacylglycerol 3-glucoside is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
trans-Grandmarin isovalerate
trans-Grandmarin isovalerate is found in citrus. trans-Grandmarin isovalerate is a constituent of citron (Citrus medica). Constituent of citron (Citrus medica). trans-Grandmarin isovalerate is found in citrus.
alpha-Peroxyachifolide
alpha-Peroxyachifolide is found in herbs and spices. alpha-Peroxyachifolide is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). alpha-Peroxyachifolide is found in herbs and spices.
(1RS,2RS)-Guaiacylglycerol 1-glucoside
(1RS,2RS)-Guaiacylglycerol 1-glucoside is isolated from Pinus sylvestris (Scotch pine) needles. Isolated from Pinus sylvestris (Scotch pine) needles.
Diosbulbin A
Diosbulbin A is found in root vegetables. Diosbulbin A is a constituent of Dioscorea bulbifera (air potato) Constituent of Dioscorea bulbifera (air potato). Diosbulbin A is found in root vegetables.
Diosbulbin F
Diosbulbin F is found in root vegetables. Diosbulbin F is isolated from Dioscorea bulbifera (air potato). Isolated from Dioscorea bulbifera (air potato). Diosbulbin F is found in root vegetables.
2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan
2-Hydroxy-3,4,5,7,8-pentamethoxyflavan is found in fruits. 2-Hydroxy-3,4,5,7,8-pentamethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 2-Hydroxy-3,4,5,7,8-pentamethoxyflavan is found in fruits.
5alpha-Hydroxytriptolide
8-Epiloganic acid
Ethinyl estradiol sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Tripdiolide
Todolactol A
Todolactol a is a member of the class of compounds known as dibenzylbutyrolactols. Dibenzylbutyrolactols are lignan compounds containing a 3,4-dibenzyloxolan-2-ol moiety. Todolactol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Todolactol a can be found in sesame, which makes todolactol a a potential biomarker for the consumption of this food product.
(-)-Olivil
(-)-olivil is a member of the class of compounds known as 7,9-epoxylignans. 7,9-epoxylignans are lignans that contain the 7,9-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively (-)-olivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-olivil can be found in olive, which makes (-)-olivil a potential biomarker for the consumption of this food product.
15-Hydroxy-3-dehydrodeoxyfruticin
15-hydroxy-3-dehydrodeoxyfruticin belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. 15-hydroxy-3-dehydrodeoxyfruticin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 15-hydroxy-3-dehydrodeoxyfruticin can be found in sunflower, which makes 15-hydroxy-3-dehydrodeoxyfruticin a potential biomarker for the consumption of this food product.
(+)-Cycloolivil
(+)-cycloolivil is a member of the class of compounds known as 9,9p-dihydroxyaryltetralin lignans. 9,9p-dihydroxyaryltetralin lignans are lignans with a structure based on the 1-phenyltetralin skeleton carrying a hydroxyl group at the 9- and the 9- position (+)-cycloolivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-cycloolivil can be found in olive, which makes (+)-cycloolivil a potential biomarker for the consumption of this food product.
L-Olivil
L-olivil is a member of the class of compounds known as 7,9-epoxylignans. 7,9-epoxylignans are lignans that contain the 7,9-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively. L-olivil is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). L-olivil can be found in olive, which makes L-olivil a potential biomarker for the consumption of this food product.
Deacetyldemethylpseudolaric acid B
Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1]. Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1].
SN-22
7-ethylcamptothecin is a pyranoindolizinoquinoline. 7-Ethylcamptothecin is one of camptothecin analogues. camptothecin (CPT), a cytotoxic alkaloid isolated from Camptotheca acuminata, is shown to have strong antitumor activity against L1210 leukemia and Walker 256 carcinosarcoma models[1]. 7-Ethylcamptothecin is one of camptothecin analogues. camptothecin (CPT), a cytotoxic alkaloid isolated from Camptotheca acuminata, is shown to have strong antitumor activity against L1210 leukemia and Walker 256 carcinosarcoma models[1].
4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2,6-naphthalenediol
[3aR-(3aalpha,4beta,6beta,6aalpha,9aalpha,9bbeta)]-2,3,3a,4,5,6,6a,7,9a,9b-Decahydro-6,8-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester 2-methyl-2-butenoic acid
demethoxydeacetoxypseudolaric acid B
Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1]. Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1].
Zinaflorin IV
[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha(Z),7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid
[3aS-[3aalpha,4beta(Z),5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid
8-epiloganic acid
8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1]. 8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1].
16-Hydroxytriptolide
A tetracyclic diterpenoid with formula C20H24O7, originally isolated from the roots and leaves of Tripterygium wilfordii.
Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether
8alpha,4-(hydroxytiglinate)-8-desacyloxysubluteolide|cebelin P
(5R,6R,7R,8S,10S,1R)-8-[(1,2-dihydroxyethyl)acryloyl]-15-oxoelema-1,3,11(13)-trien-6,12-olide
3,3-Di-Me ether-3,3,4,4,7,9-Hexahydroxy-7,9-epoxylignan
8alpha-tigloyloxy-2alpha,3beta-dihydroxy-4alpha-epoxydehydrocostuslactone
9beta-hydroxy-8beta-(5-hydroxytiglinoyloxy)-preeupatudin|9beta-hydroxy-8beta-<5-hydroxytiglinoyloxy>-preeupatudin
3-oxo-4beta,15-dihydroligustrin-(4,5-dihydroxytiglate)|3-oxo-4beta,15-dihydroligustrin-<4,5-dihydroxytiglate>
(1S,5S,6R,7R,8R,9S,10S)-5-angeloyloxy-8,9-epoxy-1-hydroxy-2-oxoxantha-3,11-dien-6,12-olide
(-)-epigallocatechin pentamethyl ether|(2R)-5,7-Dimethoxy-2r-(3,4,5-trimethoxy-phenyl)-chroman-3c-ol|5,7,3,4,5-Pentamethylaether des 5-Hydroxy-(-)-epicatechins (3-Hydroxy-5,7, 3,4,5-pentamethoxy-(-)-epicatechin)|penta-O-methylepigallocatechin
15-hydroxy-16alpha-(1-methylprop-1Z-enyl)-eremanthanolide
4-Deoxy,5-hydroxy,2-epimer-1-(4-Hydroxy-3-methoxyphenyl)-2-[3-(3-hydroxy-1-propenyl)-5-methyoxyphenoxy]-1,3-propanediol
(2Z)-2-methylbut-2-enoic acid (3aR,4R,6aR,9S,9aS,9bS)-6-formyl-2,3,3a,4,6a,7,8,9,9a,9b-decahydro-9-hydroxy-9-(hydroxymethyl)-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester|8beta-(angeloyloxy)-4beta,6alpha,15-trihydroxy-14-oxoguaia-9,11(13)-dien-12-oic acid 12,6-lactone
7-Methoxy-8-[3-[1-hydroxy-1-[[(3-methylbutyryl)oxy]methyl]ethyl]oxiranyl]-2H-1-benzopyran-2-one
9-methoxy-miller-1(10)-Z-enolide|9alpha-methoxy-miller-1(10)Z-enolide
8-(2-Hydroxymethyl-2Z-butenoyl)-(1(10)E,4Z,6alpha,8alpha)-8,15-dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide
16alpha-(1-methyl-1,2-epoxypropyl)-eremanthanolide
2-(3-methoxy-4-hydroxyphenyl)-3,4-dihydroxymethyl-5-(3-methoxy-5-hydroxyphenyl)-tetrahydrofuran|laxanol
2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Et ester, tetra-Ac
(2R)-2r-(3,4-Dimethoxy-phenyl)-3c,7,8-trimethoxy-chroman-4c-ol|2,3-cis-3,4-cis-3,7,8,3,4-pentamethoxy-flavan-4-ol|cis,cis-3,7,8,3,4-Pentamethoxy-flavan-4-ol|cis,cis-3,7,8,3,4-Pentamethoxyflavan-4-ol|Melacacidin-3-O-methylether|Melacaciolin-3-O-methylether
grazielic acid-(4-hydroxytiglate)|grazielic acid-<4-hydroxytiglate>
14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol
A natural product found in Parasenecio deltophyllus.
8beta-angeloyloxy-9beta-hydroxy-guaia-11(13)-en-6(12),4(14)-diolide
(2aS,,5aS,6S,6aR,9bR,9cS)-2a,3,4,5,5a,6,6a,8,9b,9c-decahydro-6a-hydroxy-9,9c-dimethyl-2,8-dioxo-2H-naphtho[2,3-b:4,5-b,c]difuran-6-yl (2Z)-2-methylbut-2-enoate|9alpha-(angeloyloxy)-8beta-hydroxyeremophil-7(11)-ene-6alpha,15beta;8alpha,12-diolide
(3S,16R)-12,16-epoxy-3,6,11,14,17-pentahydroxy-17(15->16)-abeo-5,8,11,13-abietatetraen-7-one
1-(4-Hydroxy-3-methoxyphenyl)-2-[3-(3-hydroxy-1-propenyl)-5-methyoxyphenoxy]-1,3-propanediol
(2aR,3S,4aS,6aS,9S,11R,11aS,11bS,13aS,13bR)-decahydro-3,11-dihydroxy-2a-methyl-8-methylidene-6H-6a,9-methano-2H,12H-1,5,13-trioxacyclohepta[a]pentaleno[1,6-hi]naphthalene-6,7(8H)-dione|6,20:6,19-diepoxy-3beta,11beta-dihydroxy-15-oxo-6,7-seco-ent-kaur-16-en-1alpha,7-olide|sculponeatin S
2,2-dimethoxy-4-(3-hydroxy-1-propenyl)-4-(1,2,3-trihydroxypropyl)diphenyl ether
5-[2-(Ethoxymethyl)-3-hydroxy-5-methylphenoxy]-2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester
(4R,5S,6S,7R,8S,10R)-1-oxo-3,10-epoxy-5-hydroxy-8-angeloyloxygermacra-2,11(13)-dien-12,6-olide|rufescenolide B
(+/-)-3-methoxy-3,4-methylenedioxylignan-4,8,9,9-tetraol
3,4,4,7,8-Penta-Me ether-(2R,3S,4S)-3,3,4,4,7,8-Hexahydroxyflavan
8(2-Hydroxymethyl-2Z-butenoyl)-(1beta,2Z,4E,6alpha,8alpha,10alpha)-form-1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide|Punctaliatrin
(4R,5R,6R)-5-[(beta-D-glucopyranosyloxy)methyl]-4,5,6,8-tetrahydro-4-hydroxy-6-methyl-1H,3H-pyrano[3,4-c]pyran-1-one|swertiajaposide F
3-[[2,4-dihydroxy-6-methoxy-3-(2-methyl-1-oxopropyl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
1beta,10alpha-epoxy-5-hydroxy-2-oxo-8beta-tigloyloxygermacra-3Z,11(13)-dien-12,6alpha-olide
4,6-Dimethyl-7-[3-(methoxycarbonyl)-3-[(methoxycarbonyl)amino]propyl]-3H-imidazo[1,2-a]purine-9(4H)-one
8beta-(4hydroxytigloyloxy)-5-desoxy-8-desacyleuparotin|8beta-<4hydroxytigloyloxy>-5-desoxy-8-desacyleuparotin
6alpha,12,19-trihydroxy-11,14-diketo-8,12-abietadien-20,7beta-olide
3beta-angeloyloxy-8beta-hydroxyeremophil-7(11)-ene-12,8alpha(14beta,6alpha)-diolide|3??-Angeloyloxy-8??-hydroxyeremophil-7(11)-ene-12,8??(14??,6??)-diolide
1,5-epoxy-3-hydroxy-1-(4,5-dihydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane
8-Debenzoylpaeoniflorin
8-Debenzoylpaeoniflorin is a natural product found in Ducrosia anethifolia, Paeonia lactiflora, and Paeonia suffruticosa with data available.
Leocarpinolide F
Loganic acid
8-Epiloganic acid is a natural product found in Plantago atrata, Lonicera japonica, and other organisms with data available. 8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1]. 8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)[1]. Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2]. Loganic acid is an iridoid isolated from cornelian cherry fruits. Loganic acid can modulate diet-induced atherosclerosis and redox status. Loganic acid has strong free radical scavenging activity and remarkable cyto-protective effect against heavy metal mediated toxicity[1][2].
Riboflavin
D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins S - Sensory organs > S01 - Ophthalmologicals D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.581 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.582 Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient. Riboflavin (vitamin B2) is an extremely easily absorbed micronutrient.
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbut-2-enoate
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol
C20H24O7_2-Butenoic acid, 2-methyl-, (1aR,1bS,2aS,4R,4aS,7aR,8S)-dodecahydro-4-hydroxy-9a-methyl-3,7-bis(methylene)-6-oxobisoxireno[5,6:7,8]cyclodeca[1,2-b]furan-8-yl ester, (2Z)
C20H24O7_2-Butenoic acid, 2-methyl-, dodecahydro-6-hydroxy-10a-methyl-4,7-bis(methylene)-3,8-dioxooxireno[8,9]cyclodeca[1,2-b]furan-5-yl ester, (2Z)
C20H24O7_2-Propenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,10,11,11a-decahydro-3-(methoxymethyl)-6-methyl-10-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate
4-[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0⁴,⁶.0⁷,⁹]pentadecan-2-yl (2Z)-2-methylbut-2-enoate
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 3-methylbut-2-enoate
(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol
Lyxoflavin
Origin: Animal; SubCategory_DNP: Pteridines and analogues, Pteridine alkaloids, Flavins
bisphenol a (3-chloro-2-hydroxypropyl) g
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5811
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847459]
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate [IIN-based on: CCMSLIB00000845091]
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based: Match]
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847815]
[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate [IIN-based: Match]
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [IIN-based: Match]
3-methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid [IIN-based on: CCMSLIB00000847814]
[3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846855]
[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]
PharmaGSID_48507
CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4372; ORIGINAL_PRECURSOR_SCAN_NO 4370 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4374; ORIGINAL_PRECURSOR_SCAN_NO 4369 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4392; ORIGINAL_PRECURSOR_SCAN_NO 4391 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4384; ORIGINAL_PRECURSOR_SCAN_NO 4383 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4473; ORIGINAL_PRECURSOR_SCAN_NO 4468 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4371; ORIGINAL_PRECURSOR_SCAN_NO 4369 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8679; ORIGINAL_PRECURSOR_SCAN_NO 8678 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8703; ORIGINAL_PRECURSOR_SCAN_NO 8701 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8723; ORIGINAL_PRECURSOR_SCAN_NO 8722 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8726; ORIGINAL_PRECURSOR_SCAN_NO 8722 INTERNAL_ID 225; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8726; ORIGINAL_PRECURSOR_SCAN_NO 8722 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8707; ORIGINAL_PRECURSOR_SCAN_NO 8705 CONFIDENCE standard compound; INTERNAL_ID 225; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8741; ORIGINAL_PRECURSOR_SCAN_NO 8739
4-[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol_major
(2S,3S,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol_major
(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0⁴,⁶.0⁷,⁹]pentadecan-2-yl (2Z)-2-methylbut-2-enoate_major
(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.0⁴,⁶.0⁷,⁹]pentadecan-2-yl (2Z)-2-methylbut-2-enoate_52.9\\%
Ala Cys Pro Ser
Ala Cys Ser Pro
Ala Pro Cys Ser
Ala Pro Ser Cys
Ala Ser Cys Pro
Ala Ser Pro Cys
Cys Ala Pro Ser
Cys Ala Ser Pro
Cys Gly Pro Thr
Cys Gly Thr Pro
Cys Pro Ala Ser
Cys Pro Gly Thr
Cys Pro Ser Ala
Cys Pro Thr Gly
Cys Ser Ala Pro
Cys Ser Pro Ala
Cys Thr Gly Pro
Cys Thr Pro Gly
Gly Cys Pro Thr
Gly Cys Thr Pro
Gly Pro Cys Thr
Gly Pro Thr Cys
Gly Thr Cys Pro
Gly Thr Pro Cys
Pro Ala Cys Ser
Pro Ala Ser Cys
Pro Cys Ala Ser
Pro Cys Gly Thr
Pro Cys Ser Ala
Pro Cys Thr Gly
Pro Gly Cys Thr
Pro Gly Thr Cys
Pro Ser Ala Cys
Pro Ser Cys Ala
Pro Thr Cys Gly
Pro Thr Gly Cys
Ser Ala Cys Pro
Ser Ala Pro Cys
Ser Cys Ala Pro
Ser Cys Pro Ala
Ser Pro Ala Cys
Ser Pro Cys Ala
Thr Cys Gly Pro
Thr Cys Pro Gly
Thr Gly Cys Pro
Thr Gly Pro Cys
Thr Pro Cys Gly
Thr Pro Gly Cys
1,2-Anhydridoniveusin
(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide
(1RS,2RS)-Guaiacylglycerol 1-glucoside
(1x,2x)-Guaiacylglycerol 2-glucoside
2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan
Diosbulbin A
Diosbulbin F
trans-Grandmarin isovalerate
a-Peroxyachifolide
(1x,2x)-Guaiacylglycerol 3-glucoside
2,3-Dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbutyl 3-methyl-2-butenoate
1,3-Dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methyl-2-butanyl 3-methyl-2-butenoate
1,4-Benzenedicarboxylic acid, 1,4-bis(4-amino-2-methylphenyl) ester
1,2-O-(1-Ethoxyethylidene)-beta-D-mannopyranose triacetate
Lucanthone hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent C471 - Enzyme Inhibitor
1,4-Benzenedicarboxylicacid, 2,5-bis[(4-methylphenyl)amino]-
(1S,2S)-(-)-N,N-DIMETHYL-1,2-BIS[3-(TRIFLUOROMETHYL)PHENYL!-1,2-ETHANE DIAMINE
Propionylpromazine hydrochloride
Propionylpromazine hydrochloride (Propiopromazine hydrochloride), a dopamine receptor D2 (DRD2) antagonist, can be used in the research of Parkinson disease[1].
methyl 2-methyl-2-(4-(2-(tosyloxy)ethyl)phenyl)propanoate
FLB 131
Eticlopride hydrochloride, a selective dopamine D2‐like receptor antagonist, exhibits high affinity for dopamine D2, α1‐adrenergic, α2‐adrenergic, 5HT1, 5HT2 receptors with Kis of 0.09, 112, 699, 6220, and 830 nM, respectively. Antipsychotic agent[1].
1,3-bis(2,4,6-trimethylphenyl)-2-chloro-imidazolinium chloride
4-Methoxyphenyl 3-O-Benzyl-beta-D-galactopyranoside
(1R,2R)-(+)-N,N-DIMETHYL-1,2-BIS[3-(TRIFLUOROMETHYL)PHENYL]- 1, 2-ETHANEDIAMINE
N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
3-Furanmethanol, tetrahydro-5-hydroxy-alpha-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-
4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol
7,8-dimethyl-10-((2R,3R,4S)-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione
CINANSERIN HYDROCHLORIDE
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Cinanserin hydrochloride (SQ 10643) is a potent, selective and highly affinity 5-HT2 receptor antagonist with a Ki of 41 nM. Cinanserin hydrochloride has a much higher binding affinity for the 5-HT2 than for the 5-HT1 receptor (Ki of 3500 nM). Cinanserin is also an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro[1][2][3].
Triptolidenol
A tetracyclic diterpenoid that is isolated from Tripterygium wilfordii and exhibits anti-inflammatory properties.
[6-Ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
1-(2,5-Dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
1-[2,5-Dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
[3,4-Dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate
7-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
[2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate
2-(4-Hydroxy-3-methoxyphenyl)-4-(alpha-hydroxy-4-hydroxy-3-methoxybenzyl)tetrahydrofuran-3-methanol
5-(2,4-Difluorophenoxy)-2-[(2-hydroxy-2-methylpropyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
(1S,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
2-(Hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate
Ethinylestradiol-3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(7R)-7-Hydroxylariciresinol
A lignan that consists of a tetrahudrofuran substituted by a 4-hydroxy-3-methoxyphenyl group at position 5, a hydroxymethyl group at position 4 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 3. It has been isolated from Taxus yunnanensis.
(2S)-2-hydroxy-7,8,3,4,5-pentamethoxyflavan
A methoxyflavan that consists of (2S)-flavan substituted by hydroxy group at position 2 and methoxy groups at positions 7, 8, 3, 4 and 5 . Isolated from the roots of Muntingia calabura, it exhibits anticancer activity.
2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]-N-(2-oxolanylmethyl)acetamide
2-Amino-7-cyclohexyl-6,8-dioxo-4,5,5a,8a-tetrahydrothieno[2,3-e]isoindole-3-carboxylic acid ethyl ester
2-[2-[Bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
1-Azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone
2-(4-Hydroxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl ester
1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one hydrochloride
methyl (3R,5S,6R,8R,10R,11S,12S)-3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylate
7-(benzyloxy)-N-(2-fluoro-5-hydroxy-4-methylphenyl)quinazolin-4-aminium
3-Methoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzoic acid
[(1R,2S,4R,6R,7S,9S,11R,12S)-11-hydroxy-4-methyl-10,15-dimethylidene-14-oxo-5,8,13-trioxatetracyclo[10.3.0.04,6.07,9]pentadecan-2-yl] (Z)-2-methylbut-2-enoate
6-Hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol
A member of the class of propane-1,3-diols that is propane-1,3-diol substituted at position 1 by a 4-hydroxy-3-methoxyphenyl and at position 2 by a 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy group (the 1R,2R stereoisomer). It is isolated from the whole plant of Lepisorus contortus.
[1,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 2-methylbut-2-enoate
guaiacylglycerol beta-coniferyl ether
A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a beta-coniferyl group.
TCN 213
TCN 213 is a selective, surmountable, glycine-dependentlly GluN1/GluN2A NMDAR antagonist with IC50s of 0.55, 3.5, 40 μM in the presence of 75, 750, 7500 nM glycine, respectively. TCN 213 can be used to monitor, pharmacologically, the switch in NMDAR expression in developing cortical neurones[1][2].
methyl 8,11-dihydroxy-2,6,9,15-tetramethyl-3,14-dioxo-13-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadeca-4,6-diene-8-carboxylate
(3ar,4r,6s,11as)-6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2,9-dioxo-3ah,4h,5h,11ah-cyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
8-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-4-methoxy-2,6-dimethylocta-2,6-dienoic acid
(3as,4s,5r,6ar,7r,9ar,9br)-5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-2-(hydroxymethyl)but-2-enoate
(1s,2s,3s,7r,9r,13r)-13-hydroxy-9,13-dimethyl-4-methylidene-5,12-dioxo-6,14-dioxatricyclo[8.3.1.0³,⁷]tetradec-10-en-2-yl (2e)-2-methylbut-2-enoate
(3ar,4r,11ar)-4-{[(2e)-4-hydroxy-2-methylbut-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
4-methyl-2-[(2-methylbut-2-enoyl)oxy]-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-ene-9-carboxylic acid
3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadecan-9-yl (2z)-2-methylbut-2-enoate
(1s,4as,5r,7r,7ar)-5-hydroxy-7-methyl-1-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
4-[(2r,3s,4r)-4-[(s)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
4-[(4-hydroxy-2-methylbut-2-enoyl)oxy]-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxy]oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
(2r,4s,8s,9s,10r,11r)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate
(3ar,4r,6s,6ar,9ar,9br)-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
(2e,4s,6e)-8-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-4-methoxy-2,6-dimethylocta-2,6-dienoic acid
(3s,9r,11br)-3,5,7,11-tetrahydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-1h,2h,3h,8h,9h-phenanthro[3,2-b]furan-6-one
methyl (2r)-2-[(1s,6r,9r,12s,14r,16r)-14-hydroxy-1,12-dimethyl-4,11-dioxo-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7-dien-6-yl]propanoate
5,7-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)but-2-enoate
(1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propane-1,3-diol
[11-(acetyloxy)-4,9-dimethyl-14-oxo-3,15-dioxatricyclo[10.3.0.0²,⁴]pentadeca-7,8,12-trien-13-yl]methyl acetate
(1r,2s,3r,4s,8s,9r,10s,12s)-3-hydroxy-2-methyl-7,11-dimethylidene-6-oxo-5,13,15-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadecan-9-yl (2z)-2-methylbut-2-enoate
8-hydroxy-7-(2-hydroxypropan-2-yl)-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.0²,⁴.0²,⁹.0⁵,⁷.0⁹,¹¹.0¹⁴,¹⁸]icos-14(18)-en-17-one
(1r,2r,4s,6r,7z,9z,11r)-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-7,9-dien-2-yl (2z)-2-(hydroxymethyl)but-2-enoate
2-({5,6-dihydroxy-2,7-dimethyl-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-{4-[2-(3-hydroxyphenyl)ethyl]phenoxy}oxane-3,4,5-triol
4-hydroxy-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-2-one
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(1s,4as,6s,7r,7as)-6-hydroxy-7-methyl-1-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
2-hydroxy-2-[3-(7-methoxy-2-oxochromen-8-yl)oxiran-2-yl]propyl 3-methylbutanoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{2-methoxy-4-[(1r,2r)-1,2,3-trihydroxypropyl]phenoxy}oxane-3,4,5-triol
(1r,2s,6r,7s,8r,9r)-7-methyl-5,12-dimethylidene-7-[(2r)-oxiran-2-yl]-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0²,⁶]dodecan-8-yl 3-methylbutanoate
(1s,2s,3r,5s,8s,11s,14r,15r,17r,20s)-3,15-dihydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁷,²⁰]henicosane-7,9-dione
(2z,4r,8r,9r,11r)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2r)-2-methylbutanoate
(1's,2s,2's,6'r,7's,10's,11'r,12's,14'r)-11'-hydroxy-14'-methyl-5'-methylidene-4'-oxo-3',13'-dioxaspiro[oxirane-2,9'-tetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan]-7'-yl (2z)-2-methylbut-2-enoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2s,4s,5s,6r,10r)-2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}oxane-3,4,5-triol
5-(1-hydroxyethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-1-one
(2s,3r,4s,5s,6r)-2-{[(1s,2s,4r,5r,8r,9s,11r,12r)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.0²,⁴.0⁵,¹²]dodecan-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,4s,6s,7s,11s)-7-hydroxy-6-methyl-1-{[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-2-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{2-methoxy-4-[(1s,2r)-1,2,3-trihydroxypropyl]phenoxy}oxane-3,4,5-triol
(4s,5r,6s)-5-ethenyl-4-(2-hydroxyethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
(1s,4as,7s,7as)-7-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(1'r,2'r)-guaiacyl glycerol 3'-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN003065","Ingredient_name": "(1'r,2'r)-guaiacyl glycerol 3'-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C(COC2C(C(C(C(O2)CO)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9024","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1'r,2'r)-guaiacyl glycerol 4-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN003066","Ingredient_name": "(1'r,2'r)-guaiacyl glycerol 4-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9025","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1's,2'r)-guaiacyl glycerol 3'-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN003219","Ingredient_name": "(1's,2'r)-guaiacyl glycerol 3'-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C(COC2C(C(C(C(O2)CO)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9026","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6α-dihydrocornicacid
{"Ingredient_id": "HBIN012200","Ingredient_name": "6\u03b1-dihydrocornicacid","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC1CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5566","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-dihydrocornicacid
{"Ingredient_id": "HBIN012264","Ingredient_name": "6\u03b2-dihydrocornicacid","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC1CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5567","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-O-methylcatalpol
{"Ingredient_id": "HBIN012693","Ingredient_name": "6-O-methylcatalpol","Alias": "6-O-Methyl catalpol; 6-o-methyl catalpol","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1C2C=COC(C2C3(C1O3)CO)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "5.80181665","CAS_id": "NA","SymMap_id": "SMIT09057;SMIT11964;SMIT16556","TCMID_id": "14215","TCMSP_id": "MOL007669;MOL011005","TCM_ID_id": "NA","PubChem_id": "53248734","DrugBank_id": "NA"}
(–)-(7R,8S)-guaiacylglycerol 8-O-β-Dglucopyranoside
{"Ingredient_id": "HBIN013459","Ingredient_name": "(\u2013)-(7R,8S)-guaiacylglycerol 8-O-\u03b2-Dglucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C(C(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41993","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-debenzoylpaeoniflori
{"Ingredient_id": "HBIN013696","Ingredient_name": "8-debenzoylpaeoniflori","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "NA","Ingredient_weight": "376.36","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7368","PubChem_id": "NA","DrugBank_id": "NA"}
8-diebenzoylpaeoniflorin
{"Ingredient_id": "HBIN013709","Ingredient_name": "8-diebenzoylpaeoniflorin","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)CO)OC5C(C(C(C(O5)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5482","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-10-hydrosweroside
{"Ingredient_id": "HBIN013753","Ingredient_name": "8-hydroxy-10-hydrosweroside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC(C1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10173","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102316721","DrugBank_id": "NA"}
9-hydroxysemperoside
{"Ingredient_id": "HBIN014122","Ingredient_name": "9-hydroxysemperoside","Alias": "NA","Ingredient_formula": "C16H24O10","Ingredient_Smile": "CC1CC2C3C1(COC(C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15913","TCMID_id": "10697","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101098710","DrugBank_id": "NA"}
Adoxosidic acid
{"Ingredient_id": "HBIN014740","Ingredient_name": "Adoxosidic acid","Alias": "adoxosidicacid","Ingredient_formula": "C16H24O10","Ingredient_Smile": "C1CC2C(C1CO)C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "376.36 g/mol","OB_score": "4.381542211","CAS_id": "NA","SymMap_id": "SMIT05426","TCMID_id": "652","TCMSP_id": "MOL003339","TCM_ID_id": "NA","PubChem_id": "13892717","DrugBank_id": "NA"}
