Exact Mass: 396.2009
Exact Mass Matches: 396.2009
Found 500 metabolites which its exact mass value is equals to given mass value 396.2009
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
9alpha-Fluoro-16alpha-hydroxyhydrocortisone
Zwittermicin A
The (+)-enantiomer of zwittermicin A. It is a water-soluble natural antibiotic from the fermentation of the soil-borne bacterium Bacillus cereus and shows significant activity against phytopathogenic fungi.
3beta-Hydroxypregn-5-en-20-one sulfate
3beta-Hydroxypregn-5-en-20-one sulfate is a metabolite of pregnenolone. Pregnenolone, also known as 3α,5β-tetrahydroprogesterone (3α,5β-THP), is an endogenous steroid hormone involved in the steroidogenesis of progestogens, mineralocorticoids, glucocorticoids, androgens, and estrogens, as well as the neuroactive steroids. As such it is a prohormone, though it also has biological effects of its own, behaving namely as a neuroactive steroid in its own right with potent anxiolytic effects. (Wikipedia) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Pregnenolone sulfate
Pregnenolone sulfate is a sulfated version of the steroid hormone known as pregnenolone. Pregnenolone sulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Pregnenolone sulfate is a neurosteroid found in the brain and central nervous system. Pregnenolone sulfate is a metabolite synthesized from pregnenolone via sulfation. It is known to have cognitive and memory-enhancing, antidepressant, anxiogenic, and proconvulsant effects (PMID: 21094889). As a neurosteroid, pregnenolone sulfate modulates a variety of ion channels, transporters, and enzymes. Interestingly, as a sulfated steroid, pregnenolone sulfate is not the final- or waste-product of pregnenolone being sulfated via a phase II metabolism reaction and renally excreted, as one would presume from pharmacology textbook knowledge. Pregnenolone sulfate is also the source and thereby the starting point for subsequent steroid synthesis pathways. Recently, pregnenolone sulfate has been shown to not only be a modulator of ion channels, but it is also an activating ion channel ligand (PMID: 24084011). Pregnenolone sulfate, a neurosteroid, is a metabolite of Pregnenolone. It is found in the brain and central nervous system. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone is found in mushrooms. (S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). 8-(3,6-Dimethyl-2-heptenyl)-naringenin is found in mushrooms.
(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone
(S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is found in fruits. (S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). (S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is found in fruits.
(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is a constituent of Ferula galbaniflua (galbanum). Constituent of Ferula galbaniflua (galbanum). (3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices.
Isopetasoside
Isopetasoside is found in green vegetables. Isopetasoside is a constituent of Petasites japonicus (sweet coltsfoot)
1-Hexanol arabinosylglucoside
1-Hexanol arabinosylglucoside is found in pomes. 1-Hexanol arabinosylglucoside is a constituent of apples (Malus sylvestris) Constituent of apples (Malus sylvestris). 1-Hexanol arabinosylglucoside is found in malus (crab apple) and pomes.
1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Dextran-70
Fukanemarin A
A hydroxycoumarin that is 4,7-dihydroxycoumarin substituted by a 1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effects on the production of nitric oxide (NO).
(-)-2beta-{(E)-3-Hydroxy-3-methylbut-1-enyl}-2-deoxybruceol
methyl 2-[1-(4-fluorobenzyl)-1h-indole-3-carboxamido]-3,3-dimethylbutanoate
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
4-Hydroxycinnamoyl(E-)-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
1-[4-(beta-D-glucopyranosyloxy)-2,6-dmethylbicyclo[3.1.1]hept-2-en-6-yl]-4-methylpent-3-en-2-one|9-oxo-alpha-bergamoten-1-yl beta-D-glucopyranoside|curvifloruside D
N-((-)-jasmonoyl)-S-tryptophan|N-<(-)-jasmonoyl>-S-tryptophan|N-Jasmonoyltryptophan
3-carboxy-2-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethoxy)-pentanedioic acid|isocryptoporic acid H
2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-4(Z),7-nonadien-6-onyl]furo[3,2-c]coumarin|fukanefuromarin D
coryn-16-ene-5,16-dicarboxylic acid dimethyl ester|Methyl anhydrodirubine
11-hydroxy-5,14-diacetoxy-9,10-dehydrofarnesol acetate
3??,6??,8??-Triacetoxy-4??,5??-epoxygermacr-1(10)E-ene
(19E)-10,2xi-dimethoxy-(16alpha)-16,7-dihydro-2H-[1,4]oxazepino[4,5,6:1,2,16]-17-nor-cur-19-en-3-one|10-methoxy-tsilanine|10-Methoxytsilanin
(1beta,3beta,4alpha,5alpha,6alpha,8alpha)-guai-10(14)-ene-3,4,6,8-tetrol 3,6,8-triacetate|(1RS,2RS,3aRS,6RS,7SR,8RS,8aRS)-decahydro-1-methyl-4-methylene-7-(1-methylethyl)azulene-1,2,6,8-tetrol 2,6,8-triacetate
1beta-(E-cinnamoyloxy)-5alpha-hydroxypolygodial|1beta-E-cinnamoyl-5alpha-hydroxypolygodial
(19R)-1-acetyl-17,19-epoxy-10-methoxy-4-methyl-3,4-seco-cur-20-en-3-one|10-Methoxy-strychnobrasilin|10-methoxy-strychnobrasiline
(4R,1E,3E)-4-(5-hydroxy-3-methyl-1,3-pentadienyl)-3,5,5-trimethyl-2-cyclohexen-1-one beta-D-glucopyranoside
3,3a,7,7a-tetrahydro-3a,6,7a-trihydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-7-(3-methylbut-2-enyl)-5-(2-methylpropanoyl)benzofuran-4(2H)-one|furonewguinone B
2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin|dihydro-7-hydroxy-2R*,3S*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]furo[3,2-c]coumarin
6-Angeloyl,Me ester-(1beta,4alpha,6alpha,8alpha)-1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid
(20S)-6beta,7beta,11beta,14beta,15beta-pentahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-ene|isoadenolin E
4S,5R-12-O-beta-D-glucopyranosyleremophil-7(11)(Z),9-dien-8-one
11-methoxy-1-methyl-3-oxo-vobasan-17-oic acid methyl ester|Ochropin
ent-abierubesin E|methyl (16R*)-1alpha,6beta,7,17-tetrahydroxy-7alpha,20-epoxy-ent-abiet-8(14)-en-15-oate
10-methoxyapoyohimbine|methyl 16,17-didehydro-10,11-dimethoxyyohimban-16-carboxylate
16(R)-1alpha,6beta,7beta,14beta-tetrahydroxy-17-methoxy-7alpha,20-epoxy-ent-kaur-15-one|dayecrystal B
6beta,7beta,11beta,14beta-tetrahydroxy-16beta-methoxymethyl-7alpha,20-epoxy-ent-kaur-15-one|parvifoline S
10-hydroxy-5,14-diacetoxy-11,12-dehydrofarnesol acetate
7-[6-(beta-carboxyethyl)-4-isopropenyl-2,6-dimethylcyclohex-2-enylmethyloxy]coumarin
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
C21H32O7_2,4-Dihydroxy-5-methoxy-2a,5a,7-trimethyldodecahydrodispiro[furan-3,2-furan-5,6-naphtho[1,8-bc]furan]-2(2aH)-one
2,4-dihydroxy-5-methoxy-1,6,8-trimethyldispiro[bis(oxolane)-3,2:5,7-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecane]-2-one
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based: Match]
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based on: CCMSLIB00000846372]
pregnenolone sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
2,4-dihydroxy-5-methoxy-1,6,8-trimethyldispiro[bis(oxolane)-3,2:5,7-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecane]-2-one_major
2,4-dihydroxy-5-methoxy-1,6,8-trimethyldispiro[bis(oxolane)-3,2:5,7-[3]oxatricyclo[6.3.1.0?,¹²]dodecane]-2-one
Ala Ala His Val
Ala Ala Val His
Ala Gly His Ile
Ala Gly His Leu
Ala Gly Ile His
Ala Gly Leu His
Ala His Ala Val
Ala His Gly Ile
Ala His Gly Leu
Ala His Ile Gly
Ala His Leu Gly
Ala His Val Ala
Ala Ile Gly His
Ala Ile His Gly
Ala Leu Gly His
Ala Leu His Gly
Ala Val Ala His
Ala Val His Ala
Gly Ala His Ile
Gly Ala His Leu
Gly Ala Ile His
Gly Ala Leu His
Gly His Ala Ile
Gly His Ala Leu
Gly His Ile Ala
Gly His Leu Ala
Gly Ile Ala His
Gly Ile His Ala
Gly Leu Ala His
Gly Leu His Ala
His Ala Ala Val
His Ala Gly Ile
His Ala Gly Leu
His Ala Ile Gly
His Ala Leu Gly
His Ala Val Ala
His Gly Ala Ile
His Gly Ala Leu
His Gly Ile Ala
His Gly Leu Ala
His Ile Ala Gly
His Ile Gly Ala
His Leu Ala Gly
His Leu Gly Ala
His Val Ala Ala
Ile Ala Gly His
Ile Ala His Gly
Ile Gly Ala His
Ile Gly His Ala
Ile His Ala Gly
Ile His Gly Ala
Leu Ala Gly His
Leu Ala His Gly
Leu Gly Ala His
Leu Gly His Ala
Leu His Ala Gly
Leu His Gly Ala
Pro Pro Pro Ser
Pro Pro Ser Pro
Pro Ser Pro Pro
Ser Pro Pro Pro
Val Ala Ala His
Val Ala His Ala
Val His Ala Ala
Isopetasoside
1-Hexanol arabinosylglucoside
(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone
2.4.4.6-Tetramethylether-3-prenylchalcone
1-PHENYL-2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
3,3-DI-TERT-BUTYL-4H,4H-[1,1-BINAPHTHALENYLIDENE]-4,4-DIONE
Toceranib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-AZETIDINE
Etonitazene
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
1,4-bis[(4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
(Z)-3-ETHOXY-6-(3,4,5-TRIMETHOXYSTYRYL)BENZENE-1,2-DIOL
2-N,4-N,6-N-tris(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
4-[[1-[(4-FLUOROPHENYL)-METHYL]-1H-BENZIMIDAZOLE-2-YL]AMINO]-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
N-Ethyl-N-heptyl-4-(4-(methylsulfonamido)phenyl)-4-oxobutanamide
2-Deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-2,2-difluoro-L-erythro-pentonic acid γ-lactone
5-Amino-5-deoxy-2,3-O-(1-methylethylidene)-N-(phenylmethyl)adenosine
4-[[6-[(1-Oxo-2-propenyl)oxy]hexyl]oxy]benzoic acid 4-ethylphenyl ester
4-(N,N-DIETHYL)-2-METHYL-P-PHENYLENEDIAMINEMONOHYDROCHLORIDE
Etarotene
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
N-(Tert-butyl)-3,5-dimethyl-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-YL)carbonyl]benzohydrazide
(2r)-3-(Phosphonooxy)propane-1,2-Diyl Diheptanoate
6-Carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-YL]-hexanoic acid
2-Hexoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
methyl (5E,6S,7S)-7-(acetoxymethyl)-5-ethylidene-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
methyl (1S,2S)-2-(acetyloxymethyl)-16-ethyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9,15-pentaene-2-carboxylate
2-[[3,5-Dihydroxy-4-methoxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-ethyloxane-3,4,5-triol
Fukanefuromarin A
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione
Fukanefuromarin C
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
Fukanefuromarin B
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
(2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-3(E)-7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effect on the production of nitric oxide (NO).
Fukanefuromarin D
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
(2S*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-3(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis and Ferula ferulioides, it exhibits inhibitory activity against production of nitric oxide (NO).
(3S,4aR,5S)-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
(4-Ethoxyphenyl)-[4-[(4-ethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
6-[4-[4-(phenylmethyl)-1-piperazinyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
2-(dimethylamino)-N-[(2R,3R,6S)-6-[2-[[(4-fluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]acetamide
N-[[(2S,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-(dimethylamino)-N-[(2S,3R,6S)-6-[2-[[(4-fluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]acetamide
N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]propan-1-one
Aspidospermidine-3-carboxylic acid, 20-(acetyloxy)-2,3-didehydro-, methyl ester, (5alpha,12beta,19alpha,20R)-
3-O,5-O-diethyl 4-O-[2-oxo-2-(propan-2-ylamino)ethyl] 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate
dimethyl (1R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
methyl (1S,12S,19S)-12-(1-acetyloxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
dimethyl (1R,16R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) dodecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) octanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) nonanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) undecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) decanoate
methyl (E)-2-[(3R,12bS)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
O-acetyl-15alpha-stemmadenine
An acetate ester resulting from the formal condensation of the hydroxy group of 15alpha-stemmadenine with the carboxy group of acetic acid.
(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone
(S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone
9alpha-Fluoro-16alpha-hydroxyhydrocortisone
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
phosphatidic acid 14:0
A phosphatidic acid in which the two acyl groups contain a total of 14 carbons and no double bonds.
(-)-Echitovenine
An Aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted by a methoxycarbonyl group at position 3 and by an acetoxy group at position 20.
(3r)-8-benzoyl-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-1-benzopyran-3,7-diol
(12r,15s,16r,17r)-16-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
6,6,9a-trimethyl-1-oxo-3h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 3-(4-hydroxyphenyl)prop-2-enoate
(1r,2r,6s,7s,8s)-1,5-dimethyl-8-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-4-en-3-one
(2s,3r)-2-(4,8-dimethyl-6-oxonona-4,7-dien-1-yl)-7-hydroxy-2,3-dimethyl-3h-furo[2,3-b]chromen-4-one
1-[(1s,4s,5s,6s)-2,6-dimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[3.1.1]hept-2-en-6-yl]-4-methylpent-3-en-2-one
(1s,2s,3s,5s,6s,8s,9s,10s,11r,15s)-3,9,10,15-tetrahydroxy-6-(methoxymethyl)-12,12-dimethyl-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-7-one
methyl 3-ethyl-2-(3-methoxy-3-oxoprop-1-en-2-yl)-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine-6-carboxylate
n-{3-[(3s,5r,8r,9r)-9-hydroxy-8-(2-hydroxy-4-iminopyrimidin-1-yl)-2-(hydroxyimino)-1,7-dioxa-4-azaspiro[4.5]decan-3-yl]propyl}guanidine
4,7-dihydroxy-3-[(2r,3e,6e)-3,7,11-trimethyl-9-oxododeca-3,6,10-trien-2-yl]chromen-2-one
3a,6,7a-trihydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-7-(3-methylbut-2-en-1-yl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-4-one
methyl (2e)-2-[(2s,3r,12br)-3-ethenyl-8-methoxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
n-{3-[(1r,4r,6r,9r)-6-hydroxy-9-(2-hydroxy-4-iminopyrimidin-1-yl)-3-(hydroxyimino)-2,8-dioxa-5-azabicyclo[4.3.1]decan-4-yl]propyl}guanidine
(1s,2s,3as,6s,7r,8s,8as)-6,8-bis(acetyloxy)-1-hydroxy-7-isopropyl-1-methyl-4-methylidene-octahydroazulen-2-yl acetate
methyl (9s,12s,13z,16s,17r,18s)-13-ethylidene-18-hydroxy-5-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
(1r,5s,8r)-1,3,5-trimethyl-2,8-bis[(3e,5e)-2-oxohepta-3,5-dien-1-yl]-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione
4-hydroxy-6-[(2s,4r,5r,6s,7e,9s,10r,11e)-2,4,6,10-tetrahydroxy-5,9,11-trimethyltrideca-7,11-dien-1-yl]pyran-2-one
(1r,2s,5s,7r,8r,9s,10s,11r,15s,16r,18r)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
methyl (2s,3s,6s,12bs)-3-ethyl-2-(3-methoxy-3-oxoprop-1-en-2-yl)-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine-6-carboxylate
(15e)-15-ethylidene-4,10-dimethoxy-11-oxa-8,17-diazahexacyclo[12.5.2.1¹,⁸.0²,⁷.0¹⁷,²⁰.0¹³,²²]docosa-2,4,6-trien-9-one
(2s,3r)-2-[(3e)-4,8-dimethyl-6-oxonona-3,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-3h-furo[2,3-b]chromen-4-one
methyl (1r,12r,19r)-12-[(1r)-1-(acetyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
(2r,5s,9r,10s)-6,10-dimethyl-2-(prop-1-en-2-yl)-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}spiro[4.5]dec-6-en-8-one
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(hexyloxy)oxane-3,4,5-triol
(4s,6s,7r,8r,10s,13r,17r)-17-ethyl-8,16-dihydroxy-10-(hydroxymethyl)-4,6-dimethyl-14,18-dioxatricyclo[11.2.2.1⁴,⁷]octadec-1(16)-ene-11,15-dione
(1r,2s)-1-{[(1s,4as,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}propane-1,2,3-tricarboxylic acid
[(1r,3s,4r,7s,10s)-4,10-dihydroxy-5-[(6s)-6-hydroxyhept-1-en-1-yl]-9,9-dimethyl-2,8-dioxatricyclo[5.4.0.0¹,³]undec-5-en-6-yl]methyl acetate
2-(3-hydroxybenzoyl)-5-methoxy-4,6-bis(3-methylbut-2-en-1-yl)benzene-1,3-diol
1-[(1s,12r,13s,14r,17s,18r)-13-hydroxy-8,13,17-trimethyl-3,11,19-trioxapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁸]nonadeca-2(10),4,6,8-tetraen-12-yl]-3-methylbut-2-en-1-one
(2s,3as,7s,7as)-3a,6,7a-trihydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-7-(3-methylbut-2-en-1-yl)-5-(2-methylpropanoyl)-2,3-dihydro-1-benzofuran-4-one
(2r,3r,4s,5r,6r)-2-(hexyloxy)-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl (2e)-3-phenylprop-2-enoate
(2s,3r,4r)-4,8-diamino-2,3,5,7,9-pentahydroxy-n-[1-(c-hydroxycarbonimidoyl)-2-(c-hydroxycarbonimidoylamino)ethyl]nonanimidic acid
(1r,2s)-1-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propane-1,2,3-tricarboxylic acid
2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadien-6-onyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004005","Ingredient_name": "2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadien-6-onyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C24H28O5","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)O)OC2=O)OC1(C)CCC=C(C)CC(=O)C=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5625","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}