Exact Mass: 412.1522
Exact Mass Matches: 412.1522
Found 500 metabolites which its exact mass value is equals to given mass value 412.1522
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Methylpicraquassioside A
Methylpicraquassioside A is found in herbs and spices. Methylpicraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Methylpicraquassioside A is found in herbs and spices.
Dicaffeoylputrescine
Dicaffeoylputrescine is found in fats and oils. Dicaffeoylputrescine is an alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Dicaffeoylputrescine is found in pomes and fats and oils.
Garcimangosone C
Garcimangosone C is found in fruits. Garcimangosone C is a constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone C is found in fruits.
Capmatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
11b,13-Dihydrolactucopicrin
11b,13-dihydrolactucopicrin is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. 11b,13-dihydrolactucopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucopicrin can be found in chicory, which makes 11b,13-dihydrolactucopicrin a potential biomarker for the consumption of this food product.
Uvarigranol C
CID 24721471 is a natural product found in Uvaria grandiflora with data available.
Trachyspic acid
An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.
[3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid
1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
cis-12a-Hydroxyrot-2-enonic acid
dalcochinin
11beta,13-dihydrolactucopicrin
A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory.
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
N6-Threonylcarbamoyladenosine
CONFIDENCE standard compound; INTERNAL_ID 308
(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol
4,6,9-Trihydroxy-2-(1-hydroxy-1-methylethyl)-11-(3-methyl-2-butenyl-)-2,3-dihydro-5H-furo[3,2-b]xanthene-5-one
(6b)|14-hydroxy-vomicine 21alpha,22alpha-epoxide|21,22alpha-epoxy-4,14-dihydroxy-19-methyl-(21alpha)-21,22-dihydro-16,19-seco-strychnidine-10,16-dione
(S)-2-amino-5-((R)-1-carboxy-2-((E)-3-(4-hydroxy-3-methoxy-phenyl)allylthio)ethyl-amino)-5-oxopentanoic acid|N-L-gamma-glutamyl-S-coniferyl-L-cysteine
1-O-butanoyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|nonioside P
1,3,8-Trihydroxy-2-(3-methyl-2-butenyl)-4-(3-methyl-3-hydroxybutanoyl)-9H-xanthene-9-one
4-(3,7-dimethyl-6-hydroxy-2,7-octadienyl)-1,3,5,8-tetrahydroxyxanthone|garcihombronone B
(2S)-5,7-Dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3,4-methylenedioxyflavanone
An extended flavonoid that is 3,4-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 7 and a 2-hydroxy-3-methyl-3-butenyl moiety at position 8 (the 2S stereoisomer). Isolated from the stem barks of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species.
jerantinine D
An indole alkaloid that is jerantinine C substituted by an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
8alpha,13-diacetoxy-1alpha,10alpha-1beta,5beta-diepoxygermacra-7(11)en-12-olide
5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester
Brucein E
Brucein E is a natural product found in Brucea javanica with data available.
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
4,7-dimethoxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
C19H24O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester
C16H28O12_6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)
C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)
C23H24O7_Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%
Ala Ala Asp His
Ala Ala His Asp
Ala Cys Gly Tyr
Ala Cys Tyr Gly
Ala Asp Ala His
Ala Asp His Ala
Ala Glu Gly His
Ala Glu His Gly
Ala Gly Cys Tyr
Ala Gly Glu His
Ala Gly His Glu
Ala Gly Tyr Cys
Ala His Ala Asp
Ala His Asp Ala
Ala His Glu Gly
Ala His Gly Glu
Ala Tyr Cys Gly
Ala Tyr Gly Cys
Cys Ala Gly Tyr
Cys Ala Tyr Gly
Cys Phe Gly Ser
Cys Phe Ser Gly
Cys Gly Ala Tyr
Cys Gly Phe Ser
Cys Gly His Pro
Cys Gly Pro His
Cys Gly Ser Phe
Cys Gly Tyr Ala
Cys His Gly Pro
Cys His Pro Gly
Cys Pro Gly His
Cys Pro His Gly
Cys Ser Phe Gly
Cys Ser Gly Phe
Cys Tyr Ala Gly
Cys Tyr Gly Ala
Asp Ala Ala His
Asp Ala His Ala
Asp His Ala Ala
Glu Ala Gly His
Glu Ala His Gly
Glu Gly Ala His
Glu Gly His Ala
Glu His Ala Gly
Glu His Gly Ala
Phe Cys Gly Ser
Phe Cys Ser Gly
Phe Gly Cys Ser
Phe Gly Ser Cys
Phe Ser Cys Gly
Phe Ser Gly Cys
Gly Ala Cys Tyr
Gly Ala Glu His
Gly Ala His Glu
Gly Ala Tyr Cys
Gly Cys Ala Tyr
Gly Cys Phe Ser
Gly Cys His Pro
Gly Cys Pro His
Gly Cys Ser Phe
Gly Cys Tyr Ala
Gly Glu Ala His
Gly Glu His Ala
Gly Phe Cys Ser
Gly Phe Ser Cys
Gly His Ala Glu
Gly His Cys Pro
Gly His Glu Ala
Gly His Pro Cys
Gly Pro Cys His
Gly Pro His Cys
Gly Ser Cys Phe
Gly Ser Phe Cys
Gly Ser Ser Tyr
Gly Ser Tyr Ser
Gly Tyr Ala Cys
Gly Tyr Cys Ala
Gly Tyr Ser Ser
His Ala Ala Asp
His Ala Asp Ala
His Ala Glu Gly
His Ala Gly Glu
His Cys Gly Pro
His Cys Pro Gly
His Asp Ala Ala
His Glu Ala Gly
His Glu Gly Ala
His Gly Ala Glu
His Gly Cys Pro
His Gly Glu Ala
His Gly Pro Cys
His Pro Cys Gly
His Pro Gly Cys
Pro Cys Gly His
Pro Cys His Gly
Pro Gly Cys His
Pro Gly His Cys
Pro His Cys Gly
Pro His Gly Cys
Ser Cys Phe Gly
Ser Cys Gly Phe
Ser Phe Cys Gly
Ser Phe Gly Cys
Ser Gly Cys Phe
Ser Gly Phe Cys
Ser Gly Ser Tyr
Ser Gly Tyr Ser
Ser Ser Gly Tyr
Ser Ser Tyr Gly
Ser Tyr Gly Ser
Ser Tyr Ser Gly
Tyr Ala Cys Gly
Tyr Ala Gly Cys
Tyr Cys Ala Gly
Tyr Cys Gly Ala
Tyr Gly Ala Cys
Tyr Gly Cys Ala
Tyr Gly Ser Ser
Tyr Ser Gly Ser
Tyr Ser Ser Gly
Dicaffeoylputrescine
Garcimangosone C
Methylpicraquassioside A
T6A [ABBR]
4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate
2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione
4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate
cobalt,(6Z)-6-[[3-[methyl-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
4-(Benzyloxy)-6-[(benzyloxy)carbonyl]-2-naphthoic acid
Nizofenone
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
1H-Pyrrolo[2,3-b]pyridine, 5-Methyl-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
(3s)-3-(Benzyloxycarbonyl-carboxyMethyl-amino)-pyrrolidine-1-carboxylic acid benzyl ester
FMoc-(R)-3-AMino-3-(4-cyano-phenyl)-propionic acid
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane
(tert-butoxycarbonylmethyl)triphenylphosphonium chloride
(R-2-AMINO-1,1-DIFLUORO2-PHENYL)ETHYLPHOSPHONICACID
(S)-2-(((BENZYLOXY)CARBONYL)(1-((BENZYLOXY)CARBONYL)PYRROLIDIN-3-YL)AMINO)ACETIC ACID
Decloxizine (dihydrochloride)
Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.
3-(4-Butoxyphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
4-Methoxyphenyl beta-D-galactopyranoside 2,4,6-triacetate
ethane-1,2-diol,furan-2,5-dione,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
6a,9a-Difluoro-11b,17a-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17b-carbothioic acid
Pruvanserin hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide
[(2S)-2-Sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
Atr kinase inhibitor AZD6738
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Capmatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(E)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(Z)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
1-Benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonylindole-2,3-dione
6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester
7-Methyl-14-morpholin-4-yl-11-thia-3,8,13-triazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),13,15(20)-tetraene-4,9-dione
2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(9H-fluoren-2-yl)ethanone
Ethyl 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate
N-(2-fluorophenyl)-2-oxo-2-[(2E)-2-{2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzylidene}hydrazinyl]acetamide
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(8-quinolinylsulfonyl)amino]acetamide
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
1-(4-isopropylphenyl)-5-[(2-phenyl-5-pyrimidinyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-(4-Fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione
1,1,2,2,3,3,4,4,5,5-Decamethyl-1,5-bis((methylthio)methyl)pentasilane
(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-benzylacetamide
2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
(6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
[(2R,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
(1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
(6R,7R,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
[(2S,3S)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
[(2S,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
3-[2-(2-Hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione
7-Benzyloxy-2,3-dihydro-2,2-dimethyl-O,6-BI(4H-1-benzopyran)-4-one
4,7-dimethoxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine
An N-(adenosin-N(6)-ylcarbonyl)threonine in which the threonine portion has L-configuration.
(3as,4r,8r,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2s,3s)-2-hydroxy-2-(hydroxymethyl)-3-sulfanylbutanoate
1-[(2s,3s)-3,5-dihydroxy-2-(3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid
16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
methyl (12r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
(2r)-4,8,9-trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
2-(1,2-dihydroxyethyl)-7-methoxy-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(1r,2s,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
methyl (1s,12r,19r,20r,21r,24r)-20,21-dihydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl]methoxy}propanoic acid
1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-en-1-yl)-1h,2h-furo[3,2-a]xanthen-11-one
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-8-(3-methylbut-2-en-1-yl)chromen-4-one
(1's,2s,3'r,4s,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
5-[(benzoyloxy)methyl]-4-ethoxy-5,6-dihydroxycyclohex-2-en-1-yl benzoate
4,8,9-trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
1,4-dimethyl (3e)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate
(3r)-3,6,8,11-tetrahydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-1,10-dioxatetraphen-5-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one
10,11-dimethoxynareline
{"Ingredient_id": "HBIN000011","Ingredient_name": "10,11-dimethoxynareline","Alias": "NA","Ingredient_formula": "C22H24N2O6","Ingredient_Smile": "CC=C1C2CC3C4=NC5=CC(=C(C=C5C4(C2C(=O)OC)C6C1N3OC6O)OC)OC","Ingredient_weight": "412.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730876","DrugBank_id": "NA"}
11β,13-dihydrolactucopicrin
{"Ingredient_id": "HBIN000358","Ingredient_name": "11\u03b2,13-dihydrolactucopicrin","Alias": "NA","Ingredient_formula": "C23H24O7","Ingredient_Smile": "CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)OC(=O)CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41170","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S,3S)- pterosin S- 14- O- β-glucopyranoside
{"Ingredient_id": "HBIN006732","Ingredient_name": "(2S,3S)- pterosin S- 14- O- \u03b2-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H28O9","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCOC3C(C(C(C(O3)CO)O)O)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,6 e)-8-hydroxylinalool 3-o-β-d-(3-o-potassium sulfo)glucopyranoside
{"Ingredient_id": "HBIN009681","Ingredient_name": "(3s,6 e)-8-hydroxylinalool 3-o-\u03b2-d-(3-o-potassium sulfo)glucopyranoside","Alias": "NA","Ingredient_formula": "C16H28O10S","Ingredient_Smile": "CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10325","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}