Exact Mass: 412.2375328
Exact Mass Matches: 412.2375328
Found 500 metabolites which its exact mass value is equals to given mass value 412.2375328
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rhodotoxine
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
Boviquinone 4
Metabolite of Boletus (Suillus) bovinus. Boviquinone 4 is found in mushrooms. Boviquinone 4 is found in mushrooms. Metabolite of Boletus (Suillus) bovinu
Austalide K
Austalide K is a mycotoxin of the food storage mould (Aspergillus ustus Mycotoxin of the food storage mould (Aspergillus ustus)
Abscisic alcohol 11-glucoside
Abscisic alcohol 11-glucoside is found in fruits. Abscisic alcohol 11-glucoside is a constituent of quince (Cydonia oblonga) fruit. Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol 11-glucoside is found in fruits.
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is found in alcoholic beverages. 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is a constituent of hops
Trandolapril-d5 Diketopiperazine
Trandolapril-d5 Diketopiperazine is a metabolite of trandolapril. Trandolapril is an ACE inhibitor used to treat high blood pressure, it may also be used to treat other conditions. It is marketed by Abbott Laboratories with the brand name Mavik. (Wikipedia)
(2R,3R)-2-Benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
C28H32N2O (412.25145019999997)
Asebotoxin
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
Lanabecestat
(2S)-5-(Diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid
Sonchuside C
Sonchuside c belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Sonchuside c is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sonchuside c can be found in chicory, which makes sonchuside c a potential biomarker for the consumption of this food product.
3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
methyl galbanate
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
N-Methylcheilanthifoline-7-O-glucoside
C24H30NO5+ (412.21238700000004)
5,5-[(6Z)-6-Tetradecene-1,14-diyl]bis(1,3-benzenediol)
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol
5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2H-1-benzopyran-4,7(3H,8H)-dione
(3R)-3-beta-D-glucopyranosyloxy-5-phenylvaleric acid n-butyl ester
plakortolide P
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
11beta,13-dihydrocostunolide-14-O-beta-D-glucopyranoside
(1R,7R,10S)-11-hydroxyguai-4-ene-3,8-dione beta-D-glucopyranoside
(4S,7R)-7-[(1E,3E,5E,7E)-8-[(2S,3R,6S)-3,6-dihydro-3-hydroxy-3,6-dimethyl-2H-pyran-2-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione|wortmannilactone H
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-2-O-beta-D-glucoside
3alpha-hydroxy-beta-eudesmol-(alpha-xylopyranoside-2-O-acetate)|3alpha-hydroxy-beta-eudesmol-
2-alpha-O-beta-D-glucopyranosyl-5alpha,11alphaH-eudesma-4(15)-en-12,8beta-olide|2alpha-O-beta-D-glucopyranosyleudesm-4(15)-en-12,8beta-olide
(6S*,8aS*)-3,5,6,7,8,8a-hexahydro-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3-oxo-naphthalen-1-yl beta-D-glucopyranoside|carandoside
1beta-O-beta-D-glucopyranosyl-5alpha,6betaH-eudesma-3-en-12,6alpha-olide
(5a,7a,13a,17a)-7-hydroxy-4,4,8-trimethyl-3-oxocarda-1,14-dienolide|6-de(acetyloxy)-7-deacetylchisocheton compound E
7alpha (H)-eudesmane-4,11(12)-diene-3-one-2beta-hydroxy-13-beta-D-glucopyranoside
1beta-O-(beta-D-glucopyranosyloxyl)-eudesma-4,11(13)-dien-12-oic acid|alatoside H
7-(2-oxohexyl)-11-hydroxy-6, 12-dioxo-7,9(11),13-abietatriene|7-(2-oxohexyl)-taxodione
(1S,4S,5R,6R,9S)-13-O-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione
5,6-dehydro-alpha-eudesmol-(alpha-xylopyranoside-2-O-acetate)|5,6-dehydro-alpha-eudesmol-
3??,6??,8??-Triacetoxy-4??,5??:1??,10??-diepoxygermacrane
9-hydroxy-3-O-(2-O-acetyl-beta-D-xylopyranosyl)-nerolidol
3-O-acetyl-4,5-O-(3-methylvaleryl)-and (2-methylbutyryl)-shikimic acid methyl ester|3-O-acetyl-4,5-O-<3-methylvaleryl>-and <2-methylbutyryl>-shikimic acid methyl ester
12,13-dimethoxy-20-methyl-ibogamine-18-carboxylic acid methyl ester|12,13-Dimethoxycoronaridin
3beta-[(beta-D-glucopyranosyl)oxy]-11alphaH-eudesm-4(14)-en-12,8beta-olide
15-hydroxy-gamma-eudesmol-(alpha-xylopyranoside-2-O-acetate)|15-hydroxy-gamma-eudesmol-
3-carboxy-2-(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethoxy)-pentanedioic acid|isocryptoporic acid I
Angeloyl-(6alpha,12betaH)-14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide
nhatrangin A
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
3alpha-Tiglinoyloxy-9,11-dehydrostachensaeure-methylester
(3,5-Di-tert.-butyl-4-hydroxy-benzyl)-beta-D-glucopyranosid-uronsaeure (?)|<3,5-Di-tert.-butyl-4-hydroxy-benzyl>-beta-D-glucopyranosid-uronsaeure (?)
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-1-O-beta-D-glucoside
LysoPC(10:0)
Acquisition and generation of the data is financially supported in part by CREST/JST.
C21H32O8_(3S,3aS,6E,9S,10E,11aS)-3,6,10-Trimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl beta-D-glucopyranoside
C22H36O7_Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R,16alpha)
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
grayanotoxin I
A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(S,E)-(2-(4,8-dimethylnona-3,7-dien-1-yl)-8-formyl-5-hydroxy-2-methyl-2H-chromen-7-yl)methyl acetate
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol_major
5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol_major
Ile Pro Pro Ser
Ile Pro Ser Pro
Ile Ser Pro Pro
Leu Pro Pro Ser
Leu Pro Ser Pro
Leu Ser Pro Pro
Pro Ile Pro Ser
Pro Ile Ser Pro
Pro Leu Pro Ser
Pro Leu Ser Pro
Pro Pro Ile Ser
Pro Pro Leu Ser
Pro Pro Ser Ile
Pro Pro Ser Leu
Pro Pro Thr Val
Pro Pro Val Thr
Pro Ser Ile Pro
Pro Ser Leu Pro
Pro Ser Pro Ile
Pro Ser Pro Leu
Pro Thr Pro Val
Pro Thr Val Pro
Pro Val Pro Thr
Pro Val Thr Pro
Ser Ile Pro Pro
Ser Leu Pro Pro
Ser Pro Ile Pro
Ser Pro Leu Pro
Ser Pro Pro Ile
Ser Pro Pro Leu
Thr Pro Pro Val
Thr Pro Val Pro
Thr Val Pro Pro
Val Pro Pro Thr
Val Pro Thr Pro
Val Thr Pro Pro
Bovinone
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
Austalide K
Abscisic alcohol 11-glucoside
Ametantrone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents
GBR 12783 dihydrochloride
C28H32N2O (412.25145019999997)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D049990 - Membrane Transport Modulators
Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester
Treprostinil sodium
C23H33NaO5 (412.22255680000006)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
3,5-dimethylmorpholine-4-carboxamidine hemisulfate salt
C14H32N6O6S (412.21039320000006)
(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYLENE)METHANE-1,1-DICARBONITRILE
2-DEOXY-ALPHA-D-RIBOSE 1-PHOSPHATE BIS(CYCLOHEXYLAMINE) SALT
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
2-(Diphenylmethyl)-N-((2-methoxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-amine
C28H32N2O (412.25145019999997)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Plakortolide O
An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
2-Methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
2,4-Diamino-6-ethyl-5,3-(2-cyclohexylphenoxy)prop-1-yloxypyrimidine
C23H32N4O3 (412.24742819999994)
(3S,4aR,5S,8R)-8-hydroxy-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.
N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide
(3S,4aR,5R,6S)-6-hydroxy-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.
(3S,4aR,5R,6R)-6-hydroxy-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 and Pittocaulon praecox.
(3R,3aS,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
N,N-dimethyl-3-[4-[(1R,5S)-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
1-[(1S)-1-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(dimethylamino)ethanone
C23H32N4O3 (412.24742819999994)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C23H32N4O3 (412.24742819999994)
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
N,N-dimethyl-4-[4-[(1R,5S)-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
1-[(1R)-1-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(dimethylamino)ethanone
C23H32N4O3 (412.24742819999994)
[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(3R,3As,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2-[hydroxy-[(2R)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(3-Decanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
(2S,3S)-4-Benzyloxy-1-(tert-butyldimethylsilyloxy)-2-methoxyethoxymethoxy-3-methylbutane
C22H40O5Si (412.26448700000003)
2-[(3-Acetyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(2-Acetyloxy-3-octoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Hexanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(3-Butanoyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
(3s,3ar,4ar,5r,7as,9ar)-3,5-dimethyl-8-methylidene-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[6,5-b]furan-2-one
(2r,3r,4s,5r)-4-(acetyloxy)-2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-5-hydroxyoxan-3-yl (2r)-2-methylbutanoate
6-hydroxy-4a,5-dimethyl-3-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
2-[(2r,4s,4as,8s)-4a,8-dimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl]prop-2-enoic acid
4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-3-yl acetate
2,5-dihydroxy-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)cyclohexa-2,5-diene-1,4-dione
4,5-dihydroxy-2-{[2-(7-hydroxy-4a-methyl-8-methylidene-octahydronaphthalen-2-yl)propan-2-yl]oxy}oxan-3-yl acetate
(3s,3as,11as)-3,10-dimethyl-6-({[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(2e)-3-{2-methyl-3-[(1e)-1-[3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-5,6,8,8a-tetrahydro-1h-naphthalen-1-yl]prop-1-en-2-yl]oxiran-2-yl}prop-2-enoic acid
(2r,3s,4r,5s)-4,5-dihydroxy-2-{[(3s,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl acetate
n-[(1s)-2-hydroxy-1-{[(2s)-1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]-c-hydroxycarbonimidoyl}ethyl]-7-methyloctanimidic acid
butyl 5-phenyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoate
3,4a-dimethyl-3-(12-phenyldodeca-9,11-dien-1-yl)-dihydro-4h-furo[3,2-c][1,2]dioxin-6-one
(4as)-7-hydroxy-2,2-dimethyl-4a,8-bis(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)chromen-5-one
3-[(3,4-dihydroxypentanoyl)oxy]-7-(3-hydroxyphenyl)-7-methoxy-2,4-dimethylheptanoic acid
(1s,2r,5s,6r,7s,9r)-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl acetate
[4-(acetyloxy)-5,7-dihydroxy-2,6,7-trimethyl-10-oxo-9-oxatricyclo[6.3.1.0¹,⁵]dodecan-6-yl]methyl butanoate
5-[14-(3,5-dihydroxyphenyl)tetradec-6-en-1-yl]benzene-1,3-diol
methyl 5-{10-[6-(methoxycarbonyl)pyridin-3-yl]decyl}pyridine-2-carboxylate
(4s,4ar,7as,7br)-4-hydroxy-6,6,7b-trimethyl-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,2h,4h,4ah,5h,7ah-cyclobuta[e]inden-7-one
(1as,1bs,6as,7s,7ar)-1b,4-dimethyl-7-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1ah,5h,6h,6ah,7h,7ah-azuleno[1,2-b]oxiren-2-one
(5-hydroxy-7-isopropyl-1,4a-dimethyl-6,10-dioxo-2,3,4,10a-tetrahydrophenanthren-1-yl)methyl 3-methylbut-2-enoate
5,5,10,13,15-pentamethyl-6,19-dioxahexacyclo[13.6.1.0¹,¹¹.0⁴,¹⁰.0¹³,²¹.0¹⁷,²¹]docos-8-ene-7,14,18-trione
2-methoxy-3,5-dimethyl-6-{1,3,5-trimethyl-2-[(2e)-4-methyl-5-oxohept-2-en-2-yl]-4-oxocyclohexa-2,5-dien-1-yl}pyran-4-one
(4r,5r,6r,8r,9s)-9-(acetyloxy)-4,6,8-trimethyl-3,7-dioxoundecan-5-yl (2s)-2-methyl-3-oxopentanoate
(1s,4ar,5r,8ar)-5-{2-[(2r,3r,4s,5r)-3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl]ethyl}-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
16,20-dihydroxy-4,8,8,12-tetramethyl-13-oxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),15,17(22)-triene-7,18-dione
1-hydroxy-5,5,8a-trimethyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4a,6,7,8-tetrahydro-4h-naphthalene-1,2-dicarbaldehyde
3,6,10-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(2e,4e)-5-[(1s,2r,4r,5as,7ar,11ar,11bs)-4-[(2r)-butan-2-yl]-1-hydroxy-6,9-dimethyl-5-methylidene-1h,2h,4h,5ah,7ah,8h,11h,11ah,11bh-naphtho[1,2-d]oxepin-2-yl]penta-2,4-dienoic acid
(3s,4s,9r,12s,20r)-16,20-dihydroxy-4,8,8,12-tetramethyl-13-oxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),15,17(22)-triene-7,18-dione
3,6-dimethyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one
5-[(4z)-14-(3,5-dihydroxyphenyl)tetradec-4-en-1-yl]benzene-1,3-diol
3',3a,3b,6,6,9a-hexamethyl-2,3,4,5,5a,8,9,9b-octahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7,10-trione
methyl 3-(acetyloxy)-4-[(2-methylbutanoyl)oxy]-5-[(3-methylpentanoyl)oxy]cyclohex-1-ene-1-carboxylate
(1r,2r,5s,6r,10r,11s,12r,15r,19s)-6-(furan-3-yl)-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-ene-11,18-diol
(1r,4ar,8r,8ar)-8-(benzoyloxy)-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-hexahydro-2h-naphthalene-1-carboxylic acid
2-(4a,8-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl)prop-2-enoic acid
3β-formyloxyresibufogenin
{"Ingredient_id": "HBIN008214","Ingredient_name": "3\u03b2-formyloxyresibufogenin","Alias": "NA","Ingredient_formula": "C25H32O5","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)OC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7911","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-2,6-dimethyl-6-(3,7-dimethyl-2,6-octadienyl)-8-(3-methyl-2-butenyl)-2h-1-ben-zopyran-5,7(3h,6h)-dione
{"Ingredient_id": "HBIN010447","Ingredient_name": "4-hydroxy-2,6-dimethyl-6-(3,7-dimethyl-2,6-octadienyl)-8-(3-methyl-2-butenyl)-2h-1-ben-zopyran-5,7(3h,6h)-dione","Alias": "4-hydroxy-2,6-dimethyl-6-(3,7-dimethyl-2,6-octadienyl)-8-(3-methyl-2-butenyl)-2h-1-benzopyran-5,7(3h,6h)-dione","Ingredient_formula": "C26H36O4","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C(=C(C(C2=O)(C)CC=C(C)CCC=C(C)C)O)CC=C(C)C","Ingredient_weight": "412.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT19249","TCMID_id": "10048;31184","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318203","DrugBank_id": "NA"}
5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2h-1-benzo-pyran-4,7(3h,8h)-dione
{"Ingredient_id": "HBIN011589","Ingredient_name": "5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2h-1-benzo-pyran-4,7(3h,8h)-dione","Alias": "NA","Ingredient_formula": "C26H36O4","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C(C(=O)C(=C2O)CC=C(C)C)(C)CC=C(C)CCC=C(C)C","Ingredient_weight": "412.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10050","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318204","DrugBank_id": "NA"}
8,14-dihydroxy-6-protoilluden-1-one; 8β-form,14-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN013545","Ingredient_name": "8,14-dihydroxy-6-protoilluden-1-one; 8\u03b2-form,14-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C21H32O8","Ingredient_Smile": "NA","Ingredient_weight": "412.47","OB_score": "NA","CAS_id": "250698-75-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7395","PubChem_id": "NA","DrugBank_id": "NA"}
alatoside c
{"Ingredient_id": "HBIN015046","Ingredient_name": "alatoside c","Alias": "NA","Ingredient_formula": "C21H32O8","Ingredient_Smile": "CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "412.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "840","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11015134","DrugBank_id": "NA"}
alatoside d
{"Ingredient_id": "HBIN015047","Ingredient_name": "alatoside d","Alias": "NA","Ingredient_formula": "C21H32O8","Ingredient_Smile": "CC1=CCCC2(C1(CC(CC2)C(=C)C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)C","Ingredient_weight": "412.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "841","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11026030","DrugBank_id": "NA"}