Exact Mass: 336.1598
Exact Mass Matches: 336.1598
Found 500 metabolites which its exact mass value is equals to given mass value 336.1598
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
CYCLOPIAZONIC ACID
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors Cyclopiazonic acid (CPA), a neurotoxic secondary metabolite (SM) made by Aspergillus flavus, is an inhibitor of endoplasmic reticulum calcium ATPase (Ca2+ATPase; SERCA) and a potent inducer of cell death in plants[1].
S-Japonin
Constituent of leaves of Petasites japonicus. S-Japonin is found in giant butterbur and green vegetables. S-Japonin is found in giant butterbur. S-Japonin is a constituent of leaves of Petasites japonicus
Nb-Feruloyltryptamine
Nb-Feruloyltryptamine is found in cereals and cereal products. Nb-Feruloyltryptamine is found in kernels of sweet corn (Zea mays). Found in kernels of sweet corn (Zea mays)
Licoagrochalcone B
Licoagrochalcone B is found in herbs and spices. Licoagrochalcone B is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagrochalcone B is found in tea and herbs and spices.
N2-Fructopyranosylarginine
N2-Fructopyranosylarginine is found in tea. N2-Fructopyranosylarginine is a constituent of Korean red ginseng. Constituent of Korean red ginseng. N2-Fructopyranosylarginine is found in tea.
Curcumin III
Curcumin III is found in herbs and spices. Curcumin III is isolated from the rhizomes of Curcuma longa (turmeric). Isolated from the rhizomes of Curcuma longa (turmeric). Curcumin III is found in herbs and spices.
2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)-
2-Propanamine, N,N,2-trimethyl-1-((3-phenyl-2-quinolinyl)thio)-
(2R,3S,9R)-5-Acetyl-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
Hemileiocarpin
Isobutyric acid [3-[3-methoxy-4-(isobutyryloxy)phenyl]oxiranyl]methyl ester
γ-Linolenoyl-CoA
CONFIDENCE isolated standard Cyclopiazonic acid (CPA), a neurotoxic secondary metabolite (SM) made by Aspergillus flavus, is an inhibitor of endoplasmic reticulum calcium ATPase (Ca2+ATPase; SERCA) and a potent inducer of cell death in plants[1].
cedreprenone
2,4-Dihydroxy-3,6,6-trimethylpyrano[2,3:6,5]chalcone
Lanceolatin A(flavonoid)
(Z)-3-hydroxy-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenylprop-2-en-1-one|purpurenone
2,7-bis(allyloxy)-5-methoxy-3-methyl-9,10-dihydrophenanthrene
2,3-Dihydro-5-hydroxy-8,8,10-trimethyl-2-phenyl-4H,8H-benzo[1,2-b:5,4-b]dipyran-4-one
Me ester,Ac -(1(10)E,4alpha,6alpha)-15-Hydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid|Methyl 15-acetoxy-4betaH-germacra-1(10)E,11(13)-trien-6alpha,12-olide-14-oic acid
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
(3S,6Z)-3-benzyl-6-(4-methoxybenzylidene)-1-methylpyrazine-2,5-dione|nocazine C
1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3t(?)-phenyl-propenon|1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3t(?)-phenyl-propenone|Oaxacacin
alpha-methyl-asclepobioside|beta-methyl asclepobioside
Asperrubrol
A methyl ester derived from (2Z,4E,6E,8E,10E,12E)-3-hydroxy-2,12-dimethyl-13-phenyltrideca-2,4,6,8,10,12-hexaenoic acid. Originally isolated from Aspergillus niger.
3beta-(acetyloxy)-11-methoxy-8-oxoeremophila-6,9-dien-12-oic acid|7-(acetyloxy)-3,5,6,7,8,8a-hexahydro-alpha-methoxy-alpha,8,8a-trimethyl-3-oxo-2-naphthaleneacetic acid
17-Epinaucleidinal|19-epi-naucleidinal|epi-19 naucleidinal|naucleidinal
5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one
(1S,2R,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
7-Hydroxy-5-methoxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
eudesm-4(15),11(13)-dien-1beta-hydroxy-6alpha-acetoxyl-7alpha,8alpha-epoxy-12-carboxylic acid methyl ester|jatrophaeudesmene C
3-[N-benzamide]-N-phenylethyl-glutarimide|crotonimide C
(E)-2-methyl-4-((E)-3-phenylprop-2-enoyloxy)-but-2-enyl benzoate|uvaridacane B
1-acetoxy-2-methoxy-4-(3-methyl-5-propenyl-benzofuran-2-yl)-benzene
(E)-3-(3,5-dimethoxy-4-(2R-methylbutyryloxy)phenyl)prop-2-enol acetate|dichrocephol C
2-(1-Methylvinyl)-4-hydroxy-7-(4-hydroxyphenyl)-2,3,5,6,7,8-hexahydronaphtho[2,3-b]furan-5-one
1-hydroxymethylphenyl 4-hydroxy-3-(4-hydroxybenzyl) benzyl ether|gastrol B
eudesm-3,11(13)-dien-1beta-hydroxy-6alpha-acetoxyl-7alpha,8alpha-epoxy-12-carboxylic acid methyl ester|jatrophaeudesmene B
2-hydroxy-6-methoxy-6,6-dimethylchromeno(4,3:2,3)chalcone|obovatachalcone|Pongachalcone I
8alpha-acetoxy-4alpha-hydroxy-10alpha-methoxy-guai-6,7,11(13)-diene-6,12-olide
5-Deoxy-3-C-hydroxymethyllyxose,9CI-Benzyl glycoside, 3,3-O-isopropylidene, 2-O-Ac
(4S,4aR,5R,6S,9aR)-6-(acetyloxy)-4a,5,6,7,8,9a-hexahydro-9a-hydroxy-4-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta-acetoxy-8alpha-hydroxy-6beta-methoxyeremophila-7(11),9(10)-dien-12,8beta-olide
3-[6-(4-Hydroxyphenethyl)-2-hydroxyphenoxy]benzyl alcohol
11-Me ether-2,2,12-Trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9,11-triol|11-Methoxy-2,2,12-trimethyl-2H-naphtho<1,2-f><1>benzopyran-8,9-diol|11-Methoxy-2,2,12-trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9-diol
2,4-Diamino-2,4,6-trideoxygalactose-Benzyl glycoside, di-N-Ac
(2S,3S)-3,6-dihydro-6-oxo-2-{(1E)-2-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethenyl}-2H-pyran-3-yl (2E)-2-methylbut-2-enoate|(5S,6S,3S,4S,1E,2E)-5,6-dihydro-6-(3,4-isopropylidenedioxy-1-pentenyl)-5-(2-methyl-2-butenoyloxy)-2H-pyran-2-one|(E)-(2S,3S)-6-oxo-2-((E)-2-((4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl)vinyl)-3,6-dihydro-2H-pyran-3-yl 2-methylbut-2-enoate
4-[[4-[[4-(Hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenol
2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose,9CI,8CI-Di-Et-dithioacetal, 2,6-di-N-Ac
(E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one|1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-methoxyphenyl)-propenone|4-Methoxylonchocarpin
Rengynic acid 1-O-??-D-glucoside|rengynic acid-10-O-beta-D-glucopyranoside
3-Ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-5-<(3-methyl-2-butenyl)oxy>-1(3H)-isobenzofuranon|3-Ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-5-[(3-methyl-2-butenyl)oxy]-1(3H)-isobenzofuranon|O5-(3-Methyl-2-butenyl)-3-Ethoxy-5-hydroxy-4-(hydroxymethy1)-7-methoxy-6-methy1-1(3H)-isobenzofuranone
Danshenol A
Danshenol A is a natural product found in Salvia miltiorrhiza and Salvia glutinosa with data available.
8-(3-ethoxy-2-hydroxy-3-methylbutyl)-5,7-dimethoxycoumarin
8-(3-Ethoxy-2-hydroxy-3-methylbutyl)-5,7-dimethoxycoumarin is a natural product found in Murraya alata with data available.
(E)-1-(5,7-dihydroxy-2,2,6-trimethylchromen-8-yl)-3-phenylprop-2-en-1-one
(2R)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.0²,⁷.0³,⁵]tetradeca-1,7,9-trien-11-one
(2R)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Butylphthalyl butylglycolate
CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9834; ORIGINAL_PRECURSOR_SCAN_NO 9831 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9872; ORIGINAL_PRECURSOR_SCAN_NO 9867 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9889; ORIGINAL_PRECURSOR_SCAN_NO 9887 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9939; ORIGINAL_PRECURSOR_SCAN_NO 9936 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9940; ORIGINAL_PRECURSOR_SCAN_NO 9937 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9948; ORIGINAL_PRECURSOR_SCAN_NO 9945
9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.0²,?.0³,?]tetradeca-1,7,9-trien-11-one
YM-53601
N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
6-(1-((TERT-BUTYLDIMETHYLSILYL)OXY)-2-NITROPROPYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE
1-benzhydryl-3-trimethylsilyloxy-azetidine-3-carbonitrile
tert-butyl 4-(2-methyl-4-nitrophenoxy)piperidine-1-carboxylate
N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide
4-(BENZYLOXY)-5-METHOXY-7-(METHOXYMETHYL)-1-NAPHTHALDEHYDE
tert-butyl 5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 4-CHLORO-1-[TRIS(1-METHYLETHYL)SILYL]-
4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)BENZO[D]OXAZOL-2-AMINE
TERT-BUTYL 4-(1-AMINO-3-ETHOXY-3-OXOPROPYL)PIPERIDINE-1-CARBOXYLATE HYDROCHLORIDE
N,N-(Methylenedi-p-phenylene)bis(aziridine-1-carboxamide)
Plinabulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
(3-glycidoxypropyl)bis(trimethylsiloxy)methylsilane
benzyl 5-amino-4-[(tert-butoxycarbonyl)amino]-5-oxopentanoate
1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol dihydrochloride
1-BOC-6-FLUORO-1,2-DIHYDRO-2-OXOSPIRO[4H-3,1-BENZOXAZINE-4,4-PIPERIDINE]
Cc-115
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C192218 - DNA-dependent Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor CC-115 is a potent and dual DNA-PK and mTOR kinase inhibitor with IC50s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling. CC-115 is a potent and dual DNA-PK and mTOR kinase inhibitor with IC50s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling.
4-({4-[(4-Methoxypyridin-2-Yl)amino]piperidin-1-Yl}carbonyl)benzonitrile
5-[[4-Methoxy-3-(phenylmethoxy)phenyl]methyl]-2,4-pyrimidinediamine
[5-Fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid
K-80003 is a potent inhibitor of tRXRα-dependent Akt activation and cancer cell growth.
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
(1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
6-[4-(4-Methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
2-{(E)-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl}-3-hydroxy-5-phenylcyclohex-2-en-1-one
1,3-Bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione
8-(2-methylphenoxy)-2-(4-morpholinyl)-1H-quinolin-4-one
2-[1-(2,6-Dioxocyclohexyl)-3-phenylprop-2-ynyl]cyclohexane-1,3-dione
N-(3-Chlorobenzyl)-1-(4-Methylpentanoyl)-L-Prolinamide
(6aR,10Z,11aS,11bR)-10-(1-hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-6-(cyclopentyloxy)benzenolate
9-Methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1,7,9-trien-11-one
[2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
6-benzyl-2-(tert-butyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
(2R,3S,9R)-5-Acetyl-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
9H-Pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6aR,11aS,11bR)-
validoxylamine A(1+)
An organic cation resulting from the protonation of the amino group of validoxylamine A; major species at pH 7.3.
(1R,3R)-1,3,4,6,7,8-Hexahydro-1,3,9-trimethoxy-7,7-dimethylcyclopenta[g]-2-benzopyran-5-carboxylic acid
(2R,3S,9R)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide
1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
1-(4-luorophenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
Senecionine(1+)
An organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3.
4-Oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide
3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone
N-(4-methylphenyl)-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]amine
N-[2-(1-cyclohexenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
N-(3-methyl-2-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
2-{[(2E)-2-(1-Azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethyl]oxy}-9H-carbazole
(3E,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
cyclopropyl-[(1S,5R)-7-[4-(3-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
N-[(2R,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2R,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2S,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2R,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]octanediamide
(1S,18R,20S)-18-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaene-19-carbaldehyde
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1,2,5,6-Tetraethyl-1,2,5,6-tetramethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne
10-Acetyl-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione
1-Dodecylglycerone 3-phosphate(2-)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-dodecylglycerone 3-phosphate; major species at pH 7.3.
(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1,2:2,3]isoindolo[4,5,6-cd]indol-9-one
Gly-Gly-Phe-Gly
Gly-Gly-Phe-Gly is a peptide spacer and can be applied to Doxorubicin (HY-15142A) (DXR) conjugates[1].
7-hydroxy-5-methoxy-8-(3-methylbut-2-en-1-yl)-4-phenylchromen-2-one
5-[(2s,3s,4s,5s)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran
(2r,3s,5e,9s)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
7-[(1s,3s)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-methylnaphthalen-1-ol
(3r)-n-{[(2s,5s,6r)-6-hydroxy-5-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}oxan-2-yl]methyl}-3-isocyanobutanimidic acid
(2s)-5-methoxy-8,8-dimethyl-2-phenyl-2h,3h-pyrano[2,3-f]chromen-4-one
3-[(1s,2r,3r,6s)-3-ethenyl-2-isothiocyanato-3-methyl-6-(prop-1-en-2-yl)cyclohexyl]-1h-indole
9a-hydroxy-4-methoxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h-naphtho[2,3-b]furan-6-yl acetate
7-(6,8-dihydroxy-3-oxo-1,4-dihydro-2-benzopyran-1-yl)heptyl acetate
1-[4-hydroxy-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
(3s,7s,8s,11z)-7,8,14,16-tetrahydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-2-benzoxacyclotetradecin-1-one
5-hydroxy-7-methoxy-8-(3-methylbuta-1,3-dien-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(3e,5e,7e,9e,11e,13e,15e,17e,19e)-21-oxodocosa-3,5,7,9,11,13,15,17,19-nonaenoic acid
2-methylpropyl 2-[7-hydroxy-2-(2-hydroxypropyl)-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetate
(2r,5s)-5-amino-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid
4-{5-[4-(acetyloxy)phenyl]penta-1,4-dien-1-yl}phenyl acetate
(2r,10r)-6-methoxy-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(21),4,6,8,13,15,19-heptaene
1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-8-yl)-3-phenylprop-2-en-1-one
methyl (13e,14s,16s,18s)-13-ethylidene-9-oxo-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
11-methoxy-2,2,12-trimethylnaphtho[2,1-f]chromene-8,9-diol
8-(3-hydroxy-3-methylbut-1-en-1-yl)-7-methoxy-2-phenylchromen-4-one
4-{8,8-dimethyl-2h-pyrano[2,3-h]chromen-3-yl}-3-methoxyphenol
(3r)-5-(dimethoxymethyl)-3-hydroxy-6-methoxy-8,8-dimethyl-3h,4h,7h,9h-indeno[4,5-c]pyran-1-one
(3ar,4s,4ar,7r,7as,8r,9as)-7-methoxy-4a,8-dimethyl-3-methylidene-2,5-dioxo-octahydroazuleno[6,5-b]furan-4-yl acetate
4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraene
(2e)-4-{3,5-dihydroxy-4-[(2r)-2-methylbutanoyl]phenoxy}-2-methylbut-2-en-1-yl acetate
6-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,2-dimethylchromen-8-ol
(1s,2r,4r,6s,8s,9z,11s)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl propanoate
methyl 10-[(acetyloxy)methyl]-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,10h,11h,11ah-cyclodeca[b]furan-6-carboxylate
(1'r,2's,3s,5's,6'r,8's,11's)-2'-ethenyl-2-hydroxy-4'-methyl-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-3'-one
(4s,5s,7s)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),2,9(16),10,12-pentaene
14-acetyl-15-hydroxy-13,13-dimethyl-4,16-diazapentacyclo[12.2.1.1⁹,¹².0²,¹¹.0⁵,¹⁰]octadeca-2,5,7,9,15-pentaen-17-one
7-hydroxy-5,9,9,17-tetramethyl-4-oxa-8,17-diazapentacyclo[10.6.1.0²,¹⁰.0³,⁵.0¹⁶,¹⁹]nonadeca-1,7,10,12,14,16(19)-hexaen-18-one
(2r,3r,5z,9r)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
2-[3-(hydroxymethyl)phenoxy]-3-[2-(4-hydroxyphenyl)ethyl]phenol
3-(3-hydroxy-4-methoxyphenyl)-n-[2-(1h-indol-3-yl)ethyl]prop-2-enimidic acid
5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
17-epinaucleidinal
{"Ingredient_id": "HBIN002046","Ingredient_name": "17-epinaucleidinal","Alias": "NA","Ingredient_formula": "C20H20N2O3","Ingredient_Smile": "CC1C(C2CC3C4=C(CCN3C(=O)C2=CO1)C5=CC=CC=C5N4)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6972","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-9-methoxy-10-(3,3-dimethylallyl)pterocarpene
{"Ingredient_id": "HBIN008689","Ingredient_name": "3-hydroxy-9-methoxy-10-(3,3-dimethylallyl)pterocarpene","Alias": "NA","Ingredient_formula": "C21H20O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
{"Ingredient_id": "HBIN013603","Ingredient_name": "8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide","Alias": "NA","Ingredient_formula": "C18H24O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "251","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}