Exact Mass: 332.1484
Exact Mass Matches: 332.1484
Found 500 metabolites which its exact mass value is equals to given mass value 332.1484
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gibberellin A4
A C19-gibberellin, initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the substitution of the OH at C-7 (gibbane numbering) by H. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 16
Spectinomycin
Spectinomycin is only found in individuals that have used or taken this drug. It is an antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea. Spectinomycin is an inhibitor of protein synthesis in the bacterial cell; the site of action is the 30S ribosomal subunit. It is bactericidal in its action. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic KEIO_ID S044; [MS2] KO009242 KEIO_ID S044
gibberellin A20
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking an OH group at C-2 (gibbane numbering).
Gibberellin A40
Gibberellin a51 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a51 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a51 can be found in a number of food items such as pepper (c. baccatum), mugwort, garlic, and common cabbage, which makes gibberellin a51 a potential biomarker for the consumption of these food products. Found in immature seeds of Pisum sativum (pea)
Trichothecin
A trichothecene mycototoxin isolated from the endophytic fungus Trichothecium sp. and it exhibits anti-cancer properties. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Gibberellin A51
Gibberellin A51 (GA51) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Thus, gibberellin A51 is considered to be an isoprenoid lipid molecule. Gibberellin A51 is found in apple. Gibberellin A51 is found in immature seeds of Pisum sativum (pea). Found in immature seeds of Pisum sativum (pea)
(R)-Marmin
(R)-Marmin is found in citrus. (R)-Marmin is a constituent of grapefruit peel and bael fruit (Aegle marmelos)
Gibberellin A45
Gibberellin A45 (GA45) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A45 is found in apple. Gibberellin A45 is a constituent of Pyrus communis (pear). Constituent of Pyrus communis (pear). Gibberellin A45 is found in many foods, some of which are pomes, sunflower, apple, and pear.
Gibberellin A70
Gibberellin A70 (GA70) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A70 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin A70 is found in apple, fruits, and okra.
Gibberellin A61
Gibberellin A61 (GA61) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A61 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A61 is found in many foods, some of which are cereals and cereal products, peach, apple, and loquat.
Tryptophyl-Glutamine
Tryptophyl-Glutamine is a dipeptide composed of tryptophan and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glutaminyltryptophan
Glutaminyltryptophan is a dipeptide composed of glutamine and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tryptophyl-Gamma-glutamate
Tryptophyl-Gamma-glutamate is a dipeptide composed of tryptophan and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
meta-O-Dealkylated flecainide
meta-O-Dealkylated flecainide is a metabolite of flecainide. Flecainide acetate is a class Ic antiarrhythmic agent used to prevent and treat tachyarrhythmias (abnormal fast rhythms of the heart). It is used to treat a variety of cardiac arrhythmias including paroxysmal atrial fibrillation (episodic irregular heartbeat originating in the upper chamber of the heart), paroxysmal supraventricular tachycardia (episodic rapid but regular heartbeat originating in the atrium), and ventricular tachycardia (rapid rhythms of the lower chambers of the heart). (Wikipedia)
1-p-Menthen-3-one
1-p-menthen-3-one is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. 1-p-menthen-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-p-menthen-3-one can be found in cornmint, which makes 1-p-menthen-3-one a potential biomarker for the consumption of this food product.
Gibberellin A4
Gibberellin a4 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a4 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a4 can be found in a number of food items such as passion fruit, dandelion, mamey sapote, and vanilla, which makes gibberellin a4 a potential biomarker for the consumption of these food products. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Gibberellin A20
Gibberellin a20 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a20 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a20 can be found in a number of food items such as soursop, nopal, breadnut tree seed, and red huckleberry, which makes gibberellin a20 a potential biomarker for the consumption of these food products.
ArnicolideD
Arnicolide D is a sesquiterpene lactone. Arnicolide D is a natural product found in Centipeda minima, Arnica montana, and Arnica acaulis with data available. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1].
[1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid
asperfuranone
A member of the class of 2-benzofurans that is 6,7-dihydro-2-benzofuran-4(5H)-one that is substituted at positions 5 and 6 by hydroxy groups, at position 5 by a methyl group and at position 1 by a (2E,4E,6S)-4,6-dimethylocta-2,4-dienoyl group (the 5S,6R-diastereoisomer). A polyketide that was first obtained from the fungus Aspergillus nidulans by using a genomic mining approach.
2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one
11alpha,13-dihydro-8alpha-methacryloyloxyzaluzanine C
1beta-1,12-Deacetoxy-6,9,11,-eremophilatrien-8-one
8alpha-methacryloyloxy-4beta,5alpha-epoxy-trans-germacra-1(10)-en-12,6beta-olide
(+)-(3S*,4S*,5R*)-(E)-4-hydroxy-3-isovaleroyloxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro<4,5>decane|(+)-(3S*,4S*,5R*)-(E)-4-hydroxy-3-isovaleroyloxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro[4,5]decane|(+)-(3S*,4S*,5R*)-(E)-4-hydroxy-3-isovaleroyloxy-2-(hexa-2,4-diynylidene)-1,6-dioxaspiro[4,5]decane
6beta-Angeloyloxy-4alpha-hydroxy-9-oxo-furano-eremophilon
1beta,10beta-epoxy-6beta-{[2-(hydroxymethyl)prop-2-enoyl]oxy}furanoeremophilane|1beta,10beta-Epoxy-furanoeremophilan-6beta-yl-(2-hydroxy-methyl-prop-2-enoat)|1beta,10beta-Epoxy-furanoeremophilan-6beta-yl-<2-hydroxy-methyl-prop-2-enoat>
3,6,8-trihydroxy-3-[3,5-dimethyl-2-oxo-3(E)-heptenyl]-2,3-dihydronaphthalen-1(4H)-one
4alpha-Hydroxy-6beta-(2-methylacryloyloxy)-9-oxofuranoeremophilon
methyl-3-prenyl-4-O-(beta-hydroxybutyryl)-coumarate
5,7-Dihydroxy-8-(2-mehtyl-1-oxobutyl)-4-pentyl-2H-1-benzopyran-4-one|5,7-dihydroxy-8-(2-methyl-butyryl)-4-pentyl-chromen-2-one|5,7-dihydroxy-8-(2-methylbutyryl)-4-pentylcoumarin|mammea C/OB
8alpha-isobutyryloxy-9-oxo-germacra-4E,1(10)Z-dien-6beta,12-olide
(4S,8R,9R,10S,12S)-15,16-epoxy-4,18-dihydroxy-19-nor-neocleroda-5,13(16),14-trien-20,12-olide|teupolin VIII
(E)-5-hydroxy-4-(4-hydroxybenzyl)-3-methoxystilbene
(6E)-6-[(2R)-2-(beta-D-glucopyranosyloxy)cyclopropylidene]hexanoic acid
4,6-Dihydroxy-3-[3-methyl-2-butenyl]-5-[4-hydroxy-3-methyl-2-butenyl]-cinnamic acid
2-Methoxy-4-[2-[2-hydroxy-3-methoxy-5-(3-hydroxypropyl)phenyl]ethyl]phenol
Methyl 15,16,17,18,19,20-hexadehydroyohimban-16-carboxylate #
11alpha,13-dihydro-3beta-methacryloyloxyzaluzanine C
3alpha,4alpha-Epoxy-2alpha-isobutyryloxykauniolide
2-(1-Methoxy-3-phenylpropyl)-3,5,6-trimethoxyphenol
3-hydroxy-nagilactone F|3beta-hydroxynagilactone F
6-(2,3-dihydroxy-3-methylbutyl)-8-prenylumbelliferone
(1S,5R,10R,7E,11Z)-5-hydroxy-1-isopropenyl-3,6-dioxocyclotetradeca-8-methyl-7,11-dien-10,12-carbolactone|gyrosanolide D
1EC,10EC-Epoxy-6EC-isobutyryloxy-9-oxofuranoeremophilane
Spectinomycin
A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic relative retention time with respect to 9-anthracene Carboxylic Acid is 0.046 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol
4-[3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
C19H24O5_6H-2-Benzopyran-6-one, 7,8-dihydro-7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl
C19H24O5_2-Propenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester
Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1].
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based: Match]
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000848242]
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_major
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol_major
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_85.7\\%
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol_56.5\\%
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_minor
Ala Gly Asp Ala
Gly Ala Glu Gly
Gly Asp Ala Ala
Gly Glu Ala Gly
Gly Glu Gly Ala
Gly Gly Glu Ala
Gibberellin A61
Gibberellin A45
Gibberellin A70
1-[2-Hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methyl-2,3-butanediol
4-CHLORO-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
tert-Butyl 4-(2-cyano-4-nitrophenyl)piperazine-1-carboxylate
Ethyl 5-[(4-N-Boc-amino)phenyl]-1,3-oxazole-4-carboxylate
[2-hydroxy-3-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)-2-(O-TOLYLOXY)ACETAMIDE
4-ETHOXY-N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)BENZAMIDE
1,1,2,3-Propanetetracarboxylicacid, 1,1,2,3-tetraethyl ester
1-(4-ISOBUTYLPHENYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]PROP-2-EN-1-ONE
2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,terephthalic acid
n-(2-hydroxyethyl)-n-methylguanidine sulfate (2:1)
(4R,4R)-2,2-Cyclopropylidenebis[4,5-dihydro-4-phenyloxazole]
1,3-Dioxane, 5-butyl-2-(3,5-difluoro[1,1-biphenyl]-4-yl)-, trans-
(4S,4S)-2,2-Cyclopropylidenebis[4,5-dihydro-4-phenyloxazole],99\\%e.e.
N~2~-1h-Benzimidazol-5-Yl-N~4~-(3-Cyclopropyl-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine
9H-Purine-9-propanamide, 1,6-dihydro-6-oxo-N-(3-(2-oxo-1-pyrrolidinyl)propyl)-
(1aR,4S,4aS,5S,9aS)-4,4a,6-Trimethyl-9-oxo-2,3,4,4a,5,9-hexahydro-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylpropanoate
A natural product found in Pittocaulon velatum.
6-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]hexanoic acid
N-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-2-(1-naphthalenyl)acetohydrazide
(2E,3E)-2-((((R)-4-Methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy)methylene)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enoic acid
2-[4-[[4-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]ethanol
4-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
4-[3,5-Dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
CID 11681509
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Rhabduscin
An isocyanide that is the 4-acetamido-4,6-dideoxy-beta-L-galactopyranoside of p-[(E)-2-isocyanovinyl]phenol. Produced by the gram-negative insect pathogens, Xenorhabdus nematophila and Photorhabdus luminescens, it is a potent nanomolar-level inhibitor of phenoloxidase, a key component of the insects innate immune system.
[(1S,2R,3R,5S,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2-oxirane]-12-yl] (Z)-but-2-enoate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(1R,2R,5S,8S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(1R,2R,5R,8R,9S,10R,11S,13S)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(1R,2R,5R,8R,9S,10R,11S,13R)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(2S)-2-[[(2S)-4-methyl-2-(2-oxopropanoylamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-16-oxospiro[15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-6,2-oxirane]-9-carboxylic acid
(2R,5R,6R,8R,9S,10R,11S)-11-methyl-16-oxospiro[15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-6,2-oxirane]-9-carboxylic acid
4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium
CID 12304146
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Trp-Ala-Gly
A tripeptide composed of L-tryptophan, L-alanine, and glycine joined by peptide linkages.
(2Z)-1-(3-amino-1-benzofuran-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
1-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]-3-cyclohexylthiourea
(3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester
2-(2-benzoyl-1-pyrrolyl)-N-methyl-N-(phenylmethyl)acetamide
N2-Tert-butyl-6-ethoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
N2-(2-furanylmethyl)-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic Acid
(1S,2R,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
methyl (1R,9S,10S,11S)-12-(cyclopropanecarbonyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
methyl (1S,9R,10R,11R)-12-(cyclopropanecarbonyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
N-[(Z)-6-Bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
2-[(Z)-2,4-Hexadiynylidene]-3-isovaleryloxy-1,6-dioxaspiro[4.5]decan-4-ol
Ly93
Ly93 is a selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, with an IC50 of 91 nM[1].
(1s,2s,3s,4s,5s,12r)-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadec-8-ene-2,4-dicarboxylic acid
(1s,3r,9s,13s)-1-methyl-9-(prop-1-en-2-yl)-4,16-dioxatricyclo[11.2.1.1³,⁶]heptadec-6(17)-ene-5,11,14-trione
methyl (2z)-3-{7-[(1e)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-1h-indol-3-yl}-2-(n-hydroxyimino)propanoate
3-[2,4-dihydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
5-[(2r,3s)-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol
(3ar,4s,11ar)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
(1's,2r,2'r,7'r,9'r,11'r)-1',2',5'-trimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl (2z)-but-2-enoate
1',2',5'-trimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl but-2-enoate
6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
(10s)-4,6,6,10,12,12,14-heptamethyl-2-thia-7,11-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(14),3,7-triene-5,13-dione
(1r,2s,3s,4s,5s,9s,12r)-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadec-7-ene-2,4-dicarboxylic acid
(3s,3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3-methyl-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
5,7-dihydroxy-8-(3-methylbutanoyl)-4-pentylchromen-2-one
(3ar,4r,6as,9ar,9bs)-6a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
(1r,2r,4r,5'r,8as)-5'-(furan-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-2h-spiro[naphthalene-1,3'-oxolan]-2'-one
3-[(2r)-butan-2-yl]-6-(4-hydroxybenzoyl)-1,5-dimethoxypyrazin-2-one
5'-(furan-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-2h-spiro[naphthalene-1,3'-oxolan]-2'-one
7-{[(2e,6r)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one
2-(hexa-2,4-diyn-1-ylidene)-4-hydroxy-1,6-dioxaspiro[4.5]decan-3-yl 3-methylbutanoate
methyl 4-{[(2e)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]oxy}-3-methoxybenzoate
8-(2,3-dihydroxy-3-methylbutyl)-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
6a-hydroxy-3,6,9-trimethylidene-2-oxo-hexahydro-3ah-azuleno[4,5-b]furan-8-yl 2-methylpropanoate
2-[(2s,3r)-3-(acetyloxy)-5,8-dimethyl-4-oxo-2,3-dihydro-1h-naphthalen-2-yl]propan-2-yl acetate
{3,4,5-trihydroxy-6-[(2-methylpropanoyl)oxy]oxan-2-yl}methyl 2-methylbut-2-enoate
(1r,2r,4r,5r,8r,9s,10r,11r)-4-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid
(3ar,4s,6ar,7s,9ar,9br)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-7-yl 2-methylpropanoate
(1s,2s,6s,11r,12r,14s)-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-11-yl 2-methylpropanoate
(1r,2r,5r,8r,9s,10r,11r,14s)-14-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid
[(3as,8s,9ar,9bs)-8-hydroxy-3,9-dimethylidene-2-oxo-3ah,4h,5h,7h,8h,9ah,9bh-azuleno[4,5-b]furan-6-yl]methyl 2-methylpropanoate
3,5-dihydroxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
{"Ingredient_id": "HBIN007607","Ingredient_name": "3,5-dihydroxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane","Alias": "NA","Ingredient_formula": "C19H24O5","Ingredient_Smile": "C1=CC(=CC=C1CCC(CC(CCC2=CC(=C(C=C2)O)O)O)O)O","Ingredient_weight": "332.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5814","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "636849","DrugBank_id": "NA"}
4,6-dihydroxy-3-[3'-me thyl-2'-butenyl]-5-[4''-hydroxy-3''-methyl-2''-butenyl]-cinnamicacid
{"Ingredient_id": "HBIN010072","Ingredient_name": "4,6-dihydroxy-3-[3'-me thyl-2'-butenyl]-5-[4''-hydroxy-3''-methyl-2''-butenyl]-cinnamicacid","Alias": "NA","Ingredient_formula": "C19H24O5","Ingredient_Smile": "CC(=CCC1=C(C(=C(C(=C1)C=CC(=O)O)O)CC=C(C)CO)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6022","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aguerin A
{"Ingredient_id": "HBIN014918","Ingredient_name": "aguerin A","Alias": "NA","Ingredient_formula": "C19H24O5","Ingredient_Smile": "CC(C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O","Ingredient_weight": "332.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32644","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "354589","DrugBank_id": "NA"}