Exact Mass: 358.2409
Exact Mass Matches: 358.2409
Found 500 metabolites which its exact mass value is equals to given mass value 358.2409,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cannabidiolate
Cannabidiolic acid
A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group.
Pregnenolone acetate
3beta-Hydroxypregn-5-en-20-one acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
11beta-Hydroxy-6alpha,11-dimethylprogesterone
11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione; 11beta-Hydroxy-6alpha,11-dimethylprogesterone
D-Homotestosterone propionate
17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate; D-Homotestosterone propionate
Sorgoleone 358
2-hydroxy-5-methoxy-3-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
Sorgoleone 358 is found in cereals and cereal products. Sorgoleone 358 is a constituent of the etiolated seedlings of Sorghum bicolor (sorghum). Constituent of the etiolated seedlings of Sorghum bicolor (sorghum). Sorgoleone 358 is found in cereals and cereal products and sorghum.
Piperoic acid
3,4-dihydroxy-5-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzoic acid
Piperoic acid is found in herbs and spices. Piperoic acid is a constituent of the leaves of Piper auritum (Veracruz pepper). Constituent of the leaves of Piper auritum (Veracruz pepper). Piperoic acid is found in herbs and spices.
11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide
3,4-dimethoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one
11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide is found in beverages. 11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide is a constituent of Salvia columbariae (California chia)
Kinetensin 1-3
(2S)-2-{[(2S)-2-{[(2S,3S)-2-amino-1-hydroxy-3-methylpentylidene]amino}-1-hydroxypropylidene]amino}-5-carbamimidamidopentanoate
Kinetensin 1-3 is a fraction of kinetensin with only the Ile-Ala-Arg peptide chain. Kinetensin is a nonapeptide, originally isolated from pepsin-treated plasma that shares some sequence homology with the C-terminal end of neurotensin, serum albumin, and angiotensin. It is a potent histamine releaser in rodents and may serve as an inflammatory mediator. Kinetensin 1-3 is a fraction of Kinetensin with only Ile-Ala-Arg peptide chain.
24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3
(3S)-3-[(1S,3aR,4E,7aS)-4-{2-[(1E,3R,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-hexahydro-1H-inden-1-yl]butanal
This compound belongs to the family of Steroids and Steroid Derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.
3,3'-Di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diol
3,3-di-tert-butyl-5,5-dimethoxy-[1,1-biphenyl]-2,2-diol
9-Carboxy-thc
1-hydroxy-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-2-carboxylic acid
Cannabidiolic acid
2,4-dihydroxy-3-[3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoic acid
Canrenoic acid
3-{14-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,8-dien-14-yl}propanoic acid
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Ferutinin
3-Hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoic acid
Ferutinin, a natural terpenoid compound, is an estrogen receptor ERα agonist and estrogen ERβ-receptor agonist/antagonist with IC50s of 33.1 nM and 180.5 nM, respectively. Ferutinin acts as an electrogenic Ca2+-ionophore that increases calcium permeability of lipid bilayer membranes, mitochondria. Ferutinin possesses estrogenic, antitumor, antibacterial and antiinflammatory activities[1][2].
Testosterone isobutyrate
(10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-methylpropanoate
Cannabichromenic acid
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid
A chromenol that is 2H-chromene substituted by methyl, 2-methylpent-2-en-5-yl, hydroxy, carboxy and pentyl groups at positions 2,2,5,6 and 7, respectively.
Ferutinin
Jaeschkeanadiol p-hydroxybenzoate
Ferutinin, a natural terpenoid compound, is an estrogen receptor ERα agonist and estrogen ERβ-receptor agonist/antagonist with IC50s of 33.1 nM and 180.5 nM, respectively. Ferutinin acts as an electrogenic Ca2+-ionophore that increases calcium permeability of lipid bilayer membranes, mitochondria. Ferutinin possesses estrogenic, antitumor, antibacterial and antiinflammatory activities[1][2].
4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoate
4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.449 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.453 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.451
Myrsinoic acid B
Myrsinoic acid B
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a carboxy group at position 5, a 1,5-dimethyl-1-hydroxy-4-hexenyl group at position 2 and a prenyl group at position 7. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity.
4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
ent-8,9-seco-7alpha-acetoxykaura-8(14),16-dien-9,15-dione|ent-8,9-Seco-7??-acetoxykaura-8(14),16-dien-9,15-dione
ent-8,9-seco-7alpha-acetoxykaura-8(14),16-dien-9,15-dione|ent-8,9-Seco-7??-acetoxykaura-8(14),16-dien-9,15-dione
5-Methoxy-2-hydroxy-3-(1,2,4a-trimethyl-5-methylenedecalin-1-ylmethyl)-1,4-benzoquinone
5-Methoxy-2-hydroxy-3-(1,2,4a-trimethyl-5-methylenedecalin-1-ylmethyl)-1,4-benzoquinone
9-(3,4-dihydro-7-hydroxy-2,5-dimethyl-2h-benzopyran-2-yl)-2,6-dimethyl-2,6-nonadienoic acid
9-(3,4-dihydro-7-hydroxy-2,5-dimethyl-2h-benzopyran-2-yl)-2,6-dimethyl-2,6-nonadienoic acid
12-oxoisospongia-13,15-dien-20-yl acetate|20-acetoxymarginatone
12-oxoisospongia-13,15-dien-20-yl acetate|20-acetoxymarginatone
(3alpha,14beta)-14,16-epoxy-3,18-[(1-methylethane-1,1,diyl)dioxy]-ent-abieta-7,15(17)-diene-14,16-diol
(3alpha,14beta)-14,16-epoxy-3,18-[(1-methylethane-1,1,diyl)dioxy]-ent-abieta-7,15(17)-diene-14,16-diol
(3S,4aS,10aS)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-9-oxophenanthren-3-yl acetate|2alpha-acetoxysugiol
(3S,4aS,10aS)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-9-oxophenanthren-3-yl acetate|2alpha-acetoxysugiol
2-(4-Methoxy-3-methyl-6-isopropylphenoxy)-4-methoxy-3-methyl-6-isopropylphenol
2-(4-Methoxy-3-methyl-6-isopropylphenoxy)-4-methoxy-3-methyl-6-isopropylphenol
1-[7,8-dihydro-7-hydroxy-7-methyl-8-oxo-3-(1E)-1-propenyl-6H-2-benzopyran]undecan-2-one|rubropunctin
1-[7,8-dihydro-7-hydroxy-7-methyl-8-oxo-3-(1E)-1-propenyl-6H-2-benzopyran]undecan-2-one|rubropunctin
12-acetylroyleanone|12-O-Acetoxy-royleanon|7-acetyl-royleanone|Royleanone Acetat
12-acetylroyleanone|12-O-Acetoxy-royleanon|7-acetyl-royleanone|Royleanone Acetat
(-)-Ochropposinine|10,11-dimethoxy-corynan-17-ol|ochroposinine|Ochropposinin|ochropposinine
(-)-Ochropposinine|10,11-dimethoxy-corynan-17-ol|ochroposinine|Ochropposinin|ochropposinine
3-acetoxyhelioscopinolide B|3beta-Acetoxy-Helioscopinolide B
3-acetoxyhelioscopinolide B|3beta-Acetoxy-Helioscopinolide B
(-)-(1betaH,7E)-6-beta-acetoxyverticilla-4(18),7,11-triene-10,12-gamma-lactone|(5R,10S,11E,13aR)-2,4,5,6,7,8,9,10,13,13a-decahydro-4,4,12-trimethyl-8-methylidene-2-oxo-3,5-ethanocyclododeca[b]furan-10-yl acetate|cespihypotin Y
(-)-(1betaH,7E)-6-beta-acetoxyverticilla-4(18),7,11-triene-10,12-gamma-lactone|(5R,10S,11E,13aR)-2,4,5,6,7,8,9,10,13,13a-decahydro-4,4,12-trimethyl-8-methylidene-2-oxo-3,5-ethanocyclododeca[b]furan-10-yl acetate|cespihypotin Y
(+)-hyatellaquinone|3-[[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-methoxy-2,5-cyclohexadiene-1,4-dione|3-{[(1R,4aR,5R,8aR)-decahydro-5,5,8a-trimethyl-2-methylenenaphthalen-1-yl]methyl}-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione|hyatellaquinone
(+)-hyatellaquinone|3-[[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-methoxy-2,5-cyclohexadiene-1,4-dione|3-{[(1R,4aR,5R,8aR)-decahydro-5,5,8a-trimethyl-2-methylenenaphthalen-1-yl]methyl}-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione|hyatellaquinone
19-acetoxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20-al
19-acetoxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20-al
16,17,15,20-tetrahydrosecodin-17-ol|Tetrahydrosecodin-17-ol|Tetrahydrosecodinol
16,17,15,20-tetrahydrosecodin-17-ol|Tetrahydrosecodin-17-ol|Tetrahydrosecodinol
2,3-epoxy-jaeschkeanadiol benzoate|epoxybenz|epoxyferutinol benzoate|epoxyjaeschkeanadiol benzoate
2,3-epoxy-jaeschkeanadiol benzoate|epoxybenz|epoxyferutinol benzoate|epoxyjaeschkeanadiol benzoate
3,17-dimethyl-18,19-dinor-17alpha-cholesta-1,3,5,7,9,11,13-heptaene
3,17-dimethyl-18,19-dinor-17alpha-cholesta-1,3,5,7,9,11,13-heptaene
(2S,3S)-6-carboxy-2,3-dihydro-3-hydroxy-2-methyl-2-(4-methylpenta-3-enyl)-8-(3-methyl-2-butenyl)chroman|myrsinoic acid C
(2S,3S)-6-carboxy-2,3-dihydro-3-hydroxy-2-methyl-2-(4-methylpenta-3-enyl)-8-(3-methyl-2-butenyl)chroman|myrsinoic acid C
5-O-acetyl-13-deacetoxy-guanacastepene A|heptemerone G
5-O-acetyl-13-deacetoxy-guanacastepene A|heptemerone G
2-[2-(5-hydroxy-2,7-dimethyl-2H-chromen-2-yl)-ethyl]-3,3-dimethyl-cyclohexanecarboxylic acid|Siccanochromen-G|Siccanochromene-G
2-[2-(5-hydroxy-2,7-dimethyl-2H-chromen-2-yl)-ethyl]-3,3-dimethyl-cyclohexanecarboxylic acid|Siccanochromen-G|Siccanochromene-G
12-formyl-11-hydroxy-8,11,13-abietatrien-2-oic acid methylester
12-formyl-11-hydroxy-8,11,13-abietatrien-2-oic acid methylester
(1S*,2S*,11S*,3E,7E,12Z)-11-acetoxycembra-3,7,12(13),15(17)-tetraen-16,2-olide|crassocolide P
(1S*,2S*,11S*,3E,7E,12Z)-11-acetoxycembra-3,7,12(13),15(17)-tetraen-16,2-olide|crassocolide P
4beta,9alpha-dihydroxy-6alpha-benzoyl-dauc-7-ene|lancerotriol benzoate
4beta,9alpha-dihydroxy-6alpha-benzoyl-dauc-7-ene|lancerotriol benzoate
(2R,13Z)-2-acetoxy-10-oxo-4,10-secospata-2,13(15),17-trien-12-al
(2R,13Z)-2-acetoxy-10-oxo-4,10-secospata-2,13(15),17-trien-12-al
4-hydroxy-3-((E)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl)-5-(3-methyl-but-2-enyl)-benzoic acid
4-hydroxy-3-((E)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl)-5-(3-methyl-but-2-enyl)-benzoic acid
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)nonanoate
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)nonanoate
4beta,8beta-dihydroxy-6alpha-benzoyldauc-9-ene|feruhermonin B
4beta,8beta-dihydroxy-6alpha-benzoyldauc-9-ene|feruhermonin B
(3beta,5beta,14beta)-14,21-epoxy-24-norcholan-20,22-diene-3,5-diol
(3beta,5beta,14beta)-14,21-epoxy-24-norcholan-20,22-diene-3,5-diol
(3S*,3aR*,5aR*,6S*,8aR*,11bS*,11cS*)-2,3,3a,5,5a,6,7,8,8a,9,10,11c-dodecahydro-5a-(hydroxymethyl)-3-methyl-1,6-methano-1H-azuleno[5,4-g]indole-11b(4H)-propanamide|macropodumine I
(3S*,3aR*,5aR*,6S*,8aR*,11bS*,11cS*)-2,3,3a,5,5a,6,7,8,8a,9,10,11c-dodecahydro-5a-(hydroxymethyl)-3-methyl-1,6-methano-1H-azuleno[5,4-g]indole-11b(4H)-propanamide|macropodumine I
2-alpha-acetyloxy-5-alpha-pregn-17(20)-(cis)-en-16-one
2-alpha-acetyloxy-5-alpha-pregn-17(20)-(cis)-en-16-one
5-hydroxy-2,6,8-trimethyl-8-(3,7-dimethyl-2,6-octadienyl)-2H-1-benzopyran-4,7(3H,8H)-dione
5-hydroxy-2,6,8-trimethyl-8-(3,7-dimethyl-2,6-octadienyl)-2H-1-benzopyran-4,7(3H,8H)-dione
12beta-Hydroxy-16alpha-methoxy-pregna-4,6-dien-3,20-dion
12beta-Hydroxy-16alpha-methoxy-pregna-4,6-dien-3,20-dion
Ac-(5alpha,10alpha,11beta,13alpha)-5,10-Epoxy-11-hydroxy-1,15-rosadien-3-one
Ac-(5alpha,10alpha,11beta,13alpha)-5,10-Epoxy-11-hydroxy-1,15-rosadien-3-one
Di-Me ester-8,11,13-Cleistanthatriene-17,19-dioic acid
Di-Me ester-8,11,13-Cleistanthatriene-17,19-dioic acid
(5R,13Z)-5-acetoxy-10-oxo-4,10-secospata-2,13(15),17-trien-12-al|(5R,13Z)-5.acetoxy-10-oxo-4,10-secospata-2,13(15),17-trien-12-al
(5R,13Z)-5-acetoxy-10-oxo-4,10-secospata-2,13(15),17-trien-12-al|(5R,13Z)-5.acetoxy-10-oxo-4,10-secospata-2,13(15),17-trien-12-al
2-hydroxy-4-methoxy-3-{[(2S,4aS,8aS)-octahydro-2,5,5,8a-tetramethylnaphthalen-1(2H)-ylidene]methyl}cyclohexa-2,5-diene-1,4-dione|Spongiachinon|Spongiaquinone
2-hydroxy-4-methoxy-3-{[(2S,4aS,8aS)-octahydro-2,5,5,8a-tetramethylnaphthalen-1(2H)-ylidene]methyl}cyclohexa-2,5-diene-1,4-dione|Spongiachinon|Spongiaquinone
irciformonin A|rel-(2R,2S,5S)-5-[(1E,4E)-7-(furan-3-yl)-4-methylhepta-1,4-dien-1-yl]hexahydro-2,5-dimethyl-[2,2-bifuran]-5(2H)-one
irciformonin A|rel-(2R,2S,5S)-5-[(1E,4E)-7-(furan-3-yl)-4-methylhepta-1,4-dien-1-yl]hexahydro-2,5-dimethyl-[2,2-bifuran]-5(2H)-one
ent-(5beta,8alpha,9beta,10alpha,11alpha,12alpha)-3,14-dioxoatis-16-en-11-yl acetate
ent-(5beta,8alpha,9beta,10alpha,11alpha,12alpha)-3,14-dioxoatis-16-en-11-yl acetate
agallochin C|ent-15-chloro-labd-8(9)-en-3alpha,13,14-triol
agallochin C|ent-15-chloro-labd-8(9)-en-3alpha,13,14-triol
(-)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal
(-)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
3-[2-butyl-1-[2-(diethylamino)ethyl]-5-benzimidazolyl]-N-hydroxy-2-propenamide
3-[2-butyl-1-[2-(diethylamino)ethyl]-5-benzimidazolyl]-N-hydroxy-2-propenamide
Tefestrol
Benzoic acid, 4-hydroxy-, 1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-4-azulenyl ester, (3R-(3alpha,3abeta,4beta,8aalpha))-
Ferutinine is a natural product found in Ferula jaeschkeana, Ferula sinaica, and other organisms with data available. Ferutinin, a natural terpenoid compound, is an estrogen receptor ERα agonist and estrogen ERβ-receptor agonist/antagonist with IC50s of 33.1 nM and 180.5 nM, respectively. Ferutinin acts as an electrogenic Ca2+-ionophore that increases calcium permeability of lipid bilayer membranes, mitochondria. Ferutinin possesses estrogenic, antitumor, antibacterial and antiinflammatory activities[1][2].
(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone
(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone
2alpha-Acetoxysugiol is a natural product found in Salvia miltiorrhiza with data available.
4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
5-[10-(3,5-dihydroxyphenyl)decyl]benzene-1,3-diol
NCGC00381312-01!5-[10-(3,5-dihydroxyphenyl)decyl]benzene-1,3-diol
2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
canrenoic acid
3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene [IIN-based: Match]
NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene [IIN-based: Match]
4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid [IIN-based on: CCMSLIB00000847074]
NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid [IIN-based on: CCMSLIB00000847074]
2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid [IIN-based on: CCMSLIB00000848922]
NCGC00179902-03!2-(2-hydroxy-6-methylhept-5-en-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid [IIN-based on: CCMSLIB00000848922]
Ala Ala Val Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-methylbutanamido]-3-methylbutanoic acid
Ala Gly Ile Val
(2S)-2-[(2S,3S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-methylpentanamido]-3-methylbutanoic acid
Ala Gly Leu Val
(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-4-methylpentanamido]-3-methylbutanoic acid
Ala Gly Val Ile
(2S,3S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-methylbutanamido]-3-methylpentanoic acid
Ala Gly Val Leu
(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-methylbutanamido]-4-methylpentanoic acid
Ala Ile Gly Val
(2S)-2-{2-[(2S,3S)-2-[(2S)-2-aminopropanamido]-3-methylpentanamido]acetamido}-3-methylbutanoic acid
Ala Ile Val Gly
2-[(2S)-2-[(2S,3S)-2-[(2S)-2-aminopropanamido]-3-methylpentanamido]-3-methylbutanamido]acetic acid
Ala Leu Gly Val
(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]acetamido}-3-methylbutanoic acid
Ala Leu Val Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-3-methylbutanamido]acetic acid
Ala Val Ala Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]propanamido]-3-methylbutanoic acid
Ala Val Gly Ile
(2S,3S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]acetamido}-3-methylpentanoic acid
Ala Val Gly Leu
(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]acetamido}-4-methylpentanoic acid
Ala Val Ile Gly
2-[(2S,3S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-3-methylpentanamido]acetic acid
Ala Val Leu Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-methylpentanamido]acetic acid
Ala Val Val Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-3-methylbutanamido]propanoic acid
Gly Ala Ile Val
(2S)-2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylpentanamido]-3-methylbutanoic acid
Gly Ala Leu Val
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-4-methylpentanamido]-3-methylbutanoic acid
Gly Ala Val Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylbutanamido]-3-methylpentanoic acid
Gly Ala Val Leu
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylbutanamido]-4-methylpentanoic acid
Gly Gly Ile Ile
(2S,3S)-2-[(2S,3S)-2-[2-(2-aminoacetamido)acetamido]-3-methylpentanamido]-3-methylpentanoic acid
Gly Gly Ile Leu
(2S)-2-[(2S,3S)-2-[2-(2-aminoacetamido)acetamido]-3-methylpentanamido]-4-methylpentanoic acid
Gly Gly Leu Ile
(2S,3S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-4-methylpentanamido]-3-methylpentanoic acid
Gly Gly Leu Leu
(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-4-methylpentanamido]-4-methylpentanoic acid
Gly Ile Ala Val
(2S)-2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]propanamido]-3-methylbutanoic acid
Gly Ile Gly Ile
(2S,3S)-2-{2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]acetamido}-3-methylpentanoic acid
Gly Ile Gly Leu
(2S)-2-{2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]acetamido}-4-methylpentanoic acid
Gly Ile Ile Gly
2-[(2S,3S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]-3-methylpentanamido]acetic acid
Gly Ile Leu Gly
2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]-4-methylpentanamido]acetic acid
Gly Ile Val Ala
(2S)-2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]-3-methylbutanamido]propanoic acid
Gly Leu Ala Val
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]propanamido]-3-methylbutanoic acid
Gly Leu Gly Ile
(2S,3S)-2-{2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]acetamido}-3-methylpentanoic acid
Gly Leu Gly Leu
(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]acetamido}-4-methylpentanoic acid
Gly Leu Ile Gly
2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-3-methylpentanamido]acetic acid
Gly Leu Leu Gly
2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-4-methylpentanamido]acetic acid
Gly Leu Val Ala
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-3-methylbutanamido]propanoic acid
Gly Val Ala Ile
(2S,3S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]propanamido]-3-methylpentanoic acid
Gly Val Ala Leu
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]propanamido]-4-methylpentanoic acid
Gly Val Ile Ala
(2S)-2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-methylpentanamido]propanoic acid
Gly Val Leu Ala
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-4-methylpentanamido]propanoic acid
Ile Ala Gly Val
(2S)-2-{2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]acetamido}-3-methylbutanoic acid
Ile Ala Val Gly
2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-3-methylbutanamido]acetic acid
Ile Gly Ala Val
(2S)-2-[(2S)-2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}propanamido]-3-methylbutanoic acid
Ile Gly Gly Ile
(2S,3S)-2-(2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}acetamido)-3-methylpentanoic acid
Ile Gly Gly Leu
(2S)-2-(2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}acetamido)-4-methylpentanoic acid
Ile Gly Ile Gly
2-[(2S,3S)-2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}-3-methylpentanamido]acetic acid
Ile Gly Leu Gly
2-[(2S)-2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}-4-methylpentanamido]acetic acid
Ile Gly Val Ala
(2S)-2-[(2S)-2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}-3-methylbutanamido]propanoic acid
Ile Ile Gly Gly
2-{2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]acetamido}acetic acid
Ile Leu Gly Gly
2-{2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]acetamido}acetic acid
Ile Val Ala Gly
2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylbutanamido]propanamido]acetic acid
Ile Val Gly Ala
(2S)-2-{2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylbutanamido]acetamido}propanoic acid
Leu Ala Gly Val
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]propanamido]acetamido}-3-methylbutanoic acid
Leu Ala Val Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]propanamido]-3-methylbutanamido]acetic acid
Leu Gly Ala Val
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}propanamido]-3-methylbutanoic acid
Leu Gly Gly Ile
(2S,3S)-2-(2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}acetamido)-3-methylpentanoic acid
Leu Gly Gly Leu
(2S)-2-(2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}acetamido)-4-methylpentanoic acid
Leu Gly Ile Gly
2-[(2S,3S)-2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}-3-methylpentanamido]acetic acid
Leu Gly Leu Gly
2-[(2S)-2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}-4-methylpentanamido]acetic acid
Leu Gly Val Ala
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}-3-methylbutanamido]propanoic acid
Leu Ile Gly Gly
2-{2-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanamido]acetamido}acetic acid
Leu Leu Gly Gly
2-{2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanamido]acetamido}acetic acid
Leu Val Ala Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]propanamido]acetic acid
Leu Val Gly Ala
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]acetamido}propanoic acid
Val Ala Ala Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]propanamido]-3-methylbutanoic acid
Val Ala Gly Ile
(2S,3S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]acetamido}-3-methylpentanoic acid
Val Ala Gly Leu
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]acetamido}-4-methylpentanoic acid
Val Ala Ile Gly
2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]-3-methylpentanamido]acetic acid
Val Ala Leu Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]-4-methylpentanamido]acetic acid
Val Ala Val Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]-3-methylbutanamido]propanoic acid
Val Gly Ala Ile
(2S,3S)-2-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}propanamido]-3-methylpentanoic acid
Val Gly Ala Leu
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}propanamido]-4-methylpentanoic acid
Val Gly Ile Ala
(2S)-2-[(2S,3S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-3-methylpentanamido]propanoic acid
Val Gly Leu Ala
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-4-methylpentanamido]propanoic acid
Val Ile Ala Gly
2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylpentanamido]propanamido]acetic acid
Val Ile Gly Ala
(2S)-2-{2-[(2S,3S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylpentanamido]acetamido}propanoic acid
Val Leu Ala Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-methylpentanamido]propanamido]acetic acid
Val Leu Gly Ala
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-methylpentanamido]acetamido}propanoic acid
Val Val Ala Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanamido]propanamido]propanoic acid
PGF2alpha-d4
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
tetranor-23-oxo-1alpha(OH)D3
(1S,3R,5Z,7E)-1,3-dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-al
ascr#21
12R-(3R,5R-dihydroxy-6S-methyl-(2H)-tetrahydropyran-2-yloxy)-2E-tridecanoic acid
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,12R)-12-hydroxytridec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#21
13-(3R,5R-dihydroxy-6S-methyl-(2H)-tetrahydropyran-2-yloxy)-2E-tridecenoic acid
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-13-hydroxytridec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
Amidonal
Aprindine hydrochloride
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators
1-(tert-butyldimethylsilyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
1-(tert-butyldimethylsilyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
1-(1-ADAMANTYL)-3-(2,4,6-TRIMETHYLPHENYL)-4,5-DIHYDROIMIDAZOLIUM CHLORIDE
1-(1-ADAMANTYL)-3-(2,4,6-TRIMETHYLPHENYL)-4,5-DIHYDROIMIDAZOLIUM CHLORIDE
tert-butyl 4-(3-ethyl-3-methyl-2-oxoindol-1-yl)piperidine-1-carboxylate
tert-butyl 4-(3-ethyl-3-methyl-2-oxoindol-1-yl)piperidine-1-carboxylate
(1S,2S,3S,4R)-3-[(1S)-1-Amino-2-ethylbutyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-cyclopentanecarboxylic acid methyl ester
(1S,2S,3S,4R)-3-[(1S)-1-Amino-2-ethylbutyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-cyclopentanecarboxylic acid methyl ester
2,2’-(2,5-Dimethyl-1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
2,2’-(2,5-Dimethyl-1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Thiourea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-propyl- (9CI)
Thiourea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-propyl- (9CI)
Bis-(2-Methyl-benzyl)-piperidin-2-ylMethyl-aMine hydrochloride
Bis-(2-Methyl-benzyl)-piperidin-2-ylMethyl-aMine hydrochloride
5-ethyl-2-methylidenenonanoic acid,methyl propanoate,prop-2-enoic acid
5-ethyl-2-methylidenenonanoic acid,methyl propanoate,prop-2-enoic acid
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-benzoyl-, 1,1-dimethylethyl ester
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-benzoyl-, 1,1-dimethylethyl ester
(2E,12R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridec-2-enoic acid
(2E,12R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridec-2-enoic acid
16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate
17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate
Pracinostat
Pracinostat (SB939)
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
(2E)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridec-2-enoic acid
(2E)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tridec-2-enoic acid
[3-carboxy-2-[(Z)-3-hydroxydodec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-3-hydroxydodec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-carboxydec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxydodec-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxydodec-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxydodec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxydodec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxydodec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-hydroxydodec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-hydroxydodec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-hydroxydodec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-hydroxydodec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-hydroxydodec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-8-hydroxydodec-10-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-8-hydroxydodec-10-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-oxododecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-oxododecanoyloxy)propyl]-trimethylazanium
Leu-Leu-Asn
Leu-Leu-Asn
A tripeptide composed of two L-leucine units joined to L-asparagine by a peptide linkage.
((2,2-Dimethyl-3-vinyl-2H-chromen-7-yl)oxy)triisopropylsilane
((2,2-Dimethyl-3-vinyl-2H-chromen-7-yl)oxy)triisopropylsilane
Ethyl {(1s,4s,5s)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate
Ethyl {(1s,4s,5s)-4-[(isonicotinoylamino)methyl]-5-isopropyl-2-methyl-2-cyclohexen-1-yl}acetate
N-[3-(dimethylamino)propyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
6,7-dimethoxy-N,N-dipropyl-2-(1-pyrrolidinyl)-4-quinazolinamine
6,7-dimethoxy-N,N-dipropyl-2-(1-pyrrolidinyl)-4-quinazolinamine
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[3-(dimethylamino)propyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
(1e,3as,3br,5as,7r,9as,9bs,11as)-1-ethylidene-9a,11a-dimethyl-2-oxo-dodecahydro-3h-cyclopenta[a]phenanthren-7-yl acetate
(1e,3as,3br,5as,7r,9as,9bs,11as)-1-ethylidene-9a,11a-dimethyl-2-oxo-dodecahydro-3h-cyclopenta[a]phenanthren-7-yl acetate
(1r,5r,6r)-4-ethyl-5-hydroxy-1-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1r,5r,6r)-4-ethyl-5-hydroxy-1-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
(2s,5r,6r,10r,13s,14r)-13-acetyl-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid
(2s,5r,6r,10r,13s,14r)-13-acetyl-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid
(1r,3as,3bs,4s,7r,9ar,9bs,11ar)-1-ethenyl-4-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(1r,3as,3bs,4s,7r,9ar,9bs,11ar)-1-ethenyl-4-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
3-hydroxypregn-17(20)-en-16-one; (3α,5α,17(20)e)-form,ac
NA
{"Ingredient_id": "HBIN008743","Ingredient_name": "3-hydroxypregn-17(20)-en-16-one; (3\u03b1,5\u03b1,17(20)e)-form,ac","Alias": "NA","Ingredient_formula": "C23H34O3","Ingredient_Smile": "NA","Ingredient_weight": "358.51","OB_score": "NA","CAS_id": "166901-88-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8072","PubChem_id": "NA","DrugBank_id": "NA"}
agallochin c
NA
{"Ingredient_id": "HBIN014804","Ingredient_name": "agallochin c","Alias": "NA","Ingredient_formula": "C20H35ClO3","Ingredient_Smile": "CC1=C(C2(CCC(C(C2CC1)(C)C)O)C)CCC(C)(C(CCl)O)O","Ingredient_weight": "358.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "686","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15543015","DrugBank_id": "NA"}
(4s,6e,8e,10s,11e,14e)-4,6,8,10,12,14-hexamethylheptadeca-6,8,11,14-tetraene-3,5,13-trione
(4s,6e,8e,10s,11e,14e)-4,6,8,10,12,14-hexamethylheptadeca-6,8,11,14-tetraene-3,5,13-trione
(1r,4r,4ar,8as)-4-[(2s,5r)-5-{2-[(hydroxymethylidene)amino]propan-2-yl}-2-methyloxolan-2-yl]-1-isocyano-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2h-naphthalene
(1r,4r,4ar,8as)-4-[(2s,5r)-5-{2-[(hydroxymethylidene)amino]propan-2-yl}-2-methyloxolan-2-yl]-1-isocyano-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2h-naphthalene
1-ethylidene-9a,11a-dimethyl-2-oxo-dodecahydro-3h-cyclopenta[a]phenanthren-7-yl acetate
1-ethylidene-9a,11a-dimethyl-2-oxo-dodecahydro-3h-cyclopenta[a]phenanthren-7-yl acetate
(1r,3as,3bs,5as,9as,9bs,10r,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-10-yl acetate
(1r,3as,3bs,5as,9as,9bs,10r,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-10-yl acetate
(2r,3e,5s)-2-[(1r,11ar)-11a-methyl-1h,2h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-3-ene
(2r,3e,5s)-2-[(1r,11ar)-11a-methyl-1h,2h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylhept-3-ene
(1r,3as,3br,4s,5as,9as,9bs,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-4-yl acetate
(1r,3as,3br,4s,5as,9as,9bs,11ar)-1-ethenyl-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-4-yl acetate
(1s,10s,12s,17r,18r)-4-ethenyl-8,8,13,13,17-pentamethyl-7,9-dioxatetracyclo[8.7.1.0⁵,¹⁸.0¹²,¹⁷]octadec-4-en-3-one
(1s,10s,12s,17r,18r)-4-ethenyl-8,8,13,13,17-pentamethyl-7,9-dioxatetracyclo[8.7.1.0⁵,¹⁸.0¹²,¹⁷]octadec-4-en-3-one
2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-en-1-yl]phenol
2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-en-1-yl]phenol
(4s,10s)-4,6,8,10,12,14-hexamethylheptadeca-6,8,11,14-tetraene-3,5,13-trione
(4s,10s)-4,6,8,10,12,14-hexamethylheptadeca-6,8,11,14-tetraene-3,5,13-trione
1-chloro-5-(6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentane-2,3-diol
1-chloro-5-(6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentane-2,3-diol
1,14,17,17-tetramethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-ene
1,14,17,17-tetramethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-ene
(15e)-16-(2h-1,3-benzodioxol-5-yl)hexadec-15-en-2-one
(15e)-16-(2h-1,3-benzodioxol-5-yl)hexadec-15-en-2-one
(1r,4s,7s,9ar,11ar)-1-ethenyl-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1r,4s,7s,9ar,11ar)-1-ethenyl-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
8-(methoxymethyl)-4,4,6a,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,11h,11ah-cyclohexa[a]fluorene-7,10-diol
8-(methoxymethyl)-4,4,6a,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,11h,11ah-cyclohexa[a]fluorene-7,10-diol
1-ethenyl-4-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
1-ethenyl-4-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(4as,6as,11ar,11bs)-7-(methoxymethyl)-4,4,6a,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,11h,11ah-cyclohexa[a]fluorene-9,10-diol
(4as,6as,11ar,11bs)-7-(methoxymethyl)-4,4,6a,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,11h,11ah-cyclohexa[a]fluorene-9,10-diol
(1s,2r,5s,7s,10r,11s,14r,15r)-16-ethenyl-10,14-dimethyl-18-oxapentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icos-16-ene-5,7-diol
(1s,2r,5s,7s,10r,11s,14r,15r)-16-ethenyl-10,14-dimethyl-18-oxapentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icos-16-ene-5,7-diol
6-[2-(but-2-en-2-yl)-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
6-[2-(but-2-en-2-yl)-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
1-ethenyl-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-10-yl acetate
1-ethenyl-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-10-yl acetate
(1r,3as,3bs,4s,7s,9ar,9bs,11ar)-1-ethenyl-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(1r,3as,3bs,4s,7s,9ar,9bs,11ar)-1-ethenyl-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
n-[(1r,4r,4ar,8as)-4-[(2s,5r)-5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2h-naphthalen-1-yl]carboximidic acid
n-[(1r,4r,4ar,8as)-4-[(2s,5r)-5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2h-naphthalen-1-yl]carboximidic acid
2-[(2r,3r,12bs)-3-ethyl-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]ethanol
2-[(2r,3r,12bs)-3-ethyl-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]ethanol
4-ethenyl-8,8,13,13,17-pentamethyl-7,9-dioxatetracyclo[8.7.1.0⁵,¹⁸.0¹²,¹⁷]octadec-4-en-3-one
4-ethenyl-8,8,13,13,17-pentamethyl-7,9-dioxatetracyclo[8.7.1.0⁵,¹⁸.0¹²,¹⁷]octadec-4-en-3-one
(2s,3s)-5-[(4as,6s,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1-chloro-3-methylpentane-2,3-diol
(2s,3s)-5-[(4as,6s,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1-chloro-3-methylpentane-2,3-diol
(3e,5e)-6-[(1ar,2r,3s,3as,6s,7ar,7bs)-2-[(2e)-but-2-en-2-yl]-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
(3e,5e)-6-[(1ar,2r,3s,3as,6s,7ar,7bs)-2-[(2e)-but-2-en-2-yl]-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-3-yl]-3-methylhexa-3,5-dien-2-one
2,4-dimethoxy-6-[(2e)-3-methyl-5-[(1r,6r)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-en-1-yl]phenol
2,4-dimethoxy-6-[(2e)-3-methyl-5-[(1r,6r)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-en-1-yl]phenol
(3e)-16-(2h-1,3-benzodioxol-5-yl)hexadec-3-en-2-one
(3e)-16-(2h-1,3-benzodioxol-5-yl)hexadec-3-en-2-one
(3s)-5-[(4as,6s,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1-chloro-3-methylpentane-2,3-diol
(3s)-5-[(4as,6s,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1-chloro-3-methylpentane-2,3-diol
(4as,6as,11ar,11bs)-8-(methoxymethyl)-4,4,6a,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,11h,11ah-cyclohexa[a]fluorene-7,10-diol
(4as,6as,11ar,11bs)-8-(methoxymethyl)-4,4,6a,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,11h,11ah-cyclohexa[a]fluorene-7,10-diol
1-ethenyl-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
1-ethenyl-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
2-{11a-methyl-1h,2h,10h,11h-cyclopenta[a]phenanthren-1-yl}-5,6-dimethylhept-3-ene
2-{11a-methyl-1h,2h,10h,11h-cyclopenta[a]phenanthren-1-yl}-5,6-dimethylhept-3-ene
13-acetyl-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid
13-acetyl-2,5,10,14-tetramethyltetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadec-1(9)-ene-5-carboxylic acid
(1s,2s,5s,9r,13s,14s,19r)-1,14,17,17-tetramethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-ene
(1s,2s,5s,9r,13s,14s,19r)-1,14,17,17-tetramethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-ene
