Exact Mass: 598.2181
Exact Mass Matches: 598.2181
Found 393 metabolites which its exact mass value is equals to given mass value 598.2181
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
tinyatoxin
A heteropentacyclic compound found in Euphorbia poissonii with molecular formula C36H38O8. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1).
Tributyltin oxide
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
10-Acetoxyoleuropein
10-Acetoxyoleuropein is found in herbs and spices. 10-Acetoxyoleuropein is a constituent of osmanthus leaves (Osmanthus fragrans). Constituent of osmanthus leaves (Osmanthus fragrans). 10-Acetoxyoleuropein is found in herbs and spices.
Losartan N2-glucuronide
Losartan N2-glucuronide is only found in individuals that have used or taken Losartan. Losartan N2-glucuronide is a metabolite of Losartan. Losartan n2-glucuronide belongs to the family of Pyranoid Amino Acids and Derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.
C.I. Pigment Red 149
C.I. Pigment Red 149 is a fda approved colourant for food contact polymer FDA approved colourant for food contact polymers
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C
Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside
Leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside can be found in loquat, which makes leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside a potential biomarker for the consumption of this food product.
3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside
5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
(1S,2S,3S,3S,7R,8R,9S,13R)-8-(acetyloxy)-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxo-10,14,17-trioxaspiro[oxane-3,5-pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane]-3-yl (2E)-2-methylbut-2-enoate
3-(4-Acetoxy-2-hydroxy-2,6,6-trimethylcyclohexylidene)-1-methylprop-2-enyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranoside
(Sa)-rel-(5R,6R,7R,8S)-5,6,7,8-tetrahydro-1,6-dihydroxy-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-5,8-diyl bis[(2Z)-2-methylbut-2-enoate]|kadsuphilol R
(7S,8R)-syringylglycerol-8-O-4-sinapyl ether 9-O-beta-D-glucopyranoside
3,4-Dihydroxyphenylethanol-8-O-[(5-O-vanilloyl)-??-D-apiofuranosyl(1鈥樏傗垎2)]-??-D-glucopyranoside
3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-<2,3c>-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-[2,3c]-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-glucopyranoside
9-[(2R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
3,4,4,7-Tetramethoxy-5,5-dihydroxy-8,3-biflavanone
(2S)-6,8-dimethyl-5,7,2,5-tetrahydroflavanone 7-O-(6-O-p-hydroxybenzoyl)-beta-D-glucopyranoside|myrciacitrin V
3-Methoxy-5,7-dihydroxy-8-[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propionyl]-5-methyl-6-methoxybenzyl]flavone
(7R,8S)-erythro-syringylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside|2-[4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-phenoxy]-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl-beta-D-glucopyranoside
(-)-5,5-dimethoxy-4-O-(beta-D-glucopyranosyl) lariciresinol
2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-2-hydroxy-3-methoxybenzoate
2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-3-hydroxy-2-methoxybenzoate
3,5-bis(3-methyl-2-butenyl)-4-O-[beta-D-glucopyranosyl-(1?4)-beta-D-glucopyranosyl]benzoic acid
1-(2,4-bis-beta-D-glucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-one|1-(2,4-Bis-beta-D-lucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-on|phloretin-2,4-di-O-beta-D-glucopyranoside
2-(4-{[(3-ethylheptanoyl)oxy]methyl}phenyl)-5-methoxy-4-oxo-4H-chromen-7-yl (E)-3-(4-methoxyphenyl)-2-propenoate|prunusin A
sec-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyl]-oxypeucedanin hydrate
3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxy-1-(E)-propenyl)-26-dimethoxyphenoxy]propyl-beta-D-glucopyranoside
beta-D-glucopyranosyl (6->1)-beta-D-glucopyranosyl-4-(4-ethylphenyl)gallate|mimusopstannin
(1R*,3aS*,4E,6Z,8S*,8aR*,9S*,11R*,12R*,12aS*,13S*,13aS*)-5-(chloromethyl)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-1,8a-dimethyl-2-oxo-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2-oxirane]-8,9,11,13-tetrayl tetraacetate|frajunolide C|rel-(1R,2S,7S,8S,9S,10S,11R,12R,14S,17R)-2,9,12,14-tetraacetoxy-16-chloro-11,20-epoxy-8-hydroxybriara-3,5-dien-18,7-olide
(1S,4R,5S,6R,7R,8R,9S,10S)-1,8,9-tribenzoyloxy-6-hydroxydihydro-beta-agarofuran
[4-(5-sulfanylidenedithiol-3-yl)phenyl] 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate
{3,4,5-triacetyloxy-6-[3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2H-3,4,5,6-te trahydropyran-2-yl}methyl acetate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.356 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.355
4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 2-phenylacetate
4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]
4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848662]
CP-532623
CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5617; ORIGINAL_PRECURSOR_SCAN_NO 5613 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5639; ORIGINAL_PRECURSOR_SCAN_NO 5637 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5599; ORIGINAL_PRECURSOR_SCAN_NO 5597 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5626; ORIGINAL_PRECURSOR_SCAN_NO 5624 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5625; ORIGINAL_PRECURSOR_SCAN_NO 5622 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5627; ORIGINAL_PRECURSOR_SCAN_NO 5624
5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid_major
(1S,2S,3S,3S,7R,8R,9S,13R)-8-(acetyloxy)-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxo-10,14,17-trioxaspiro[oxane-3,5-pentacyclo[7.6.1.1?,¹².0¹,¹².0²,?]heptadecane]-3-yl (2E)-2-methylbut-2-enoate
Losartan Metabolite (b-D-Glucopyranuronic acid, 1-[5-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imi
Ala His Trp Trp
Ala Trp His Trp
Ala Trp Trp His
Cys Lys Trp Tyr
Cys Lys Tyr Trp
Cys Gln Trp Tyr
Cys Gln Tyr Trp
Cys Trp Lys Tyr
Cys Trp Gln Tyr
Cys Trp Tyr Lys
Cys Trp Tyr Gln
Cys Tyr Lys Trp
Cys Tyr Gln Trp
Cys Tyr Trp Lys
Cys Tyr Trp Gln
Glu His Gln Trp
Glu His Trp Gln
Glu Gln His Trp
Glu Gln Trp His
Glu Trp His Gln
Glu Trp Gln His
His Ala Trp Trp
His Glu Gln Trp
His Glu Trp Gln
His Gln Glu Trp
His Gln Trp Glu
His Trp Ala Trp
His Trp Glu Gln
His Trp Gln Glu
His Trp Trp Ala
Lys Cys Trp Tyr
Lys Cys Tyr Trp
Lys Trp Cys Tyr
Lys Trp Tyr Cys
Lys Tyr Cys Trp
Lys Tyr Trp Cys
Gln Cys Trp Tyr
Gln Cys Tyr Trp
Gln Glu His Trp
Gln Glu Trp His
Gln His Glu Trp
Gln His Trp Glu
Gln Trp Cys Tyr
Gln Trp Glu His
Gln Trp His Glu
Gln Trp Tyr Cys
Gln Tyr Cys Trp
Gln Tyr Trp Cys
Trp Ala His Trp
Trp Ala Trp His
Trp Cys Lys Tyr
Trp Cys Gln Tyr
Trp Cys Tyr Lys
Trp Cys Tyr Gln
Trp Glu His Gln
Trp Glu Gln His
Trp His Ala Trp
Trp His Glu Gln
Trp His Gln Glu
Trp His Trp Ala
Trp Lys Cys Tyr
Trp Lys Tyr Cys
Trp Gln Cys Tyr
Trp Gln Glu His
Trp Gln His Glu
Trp Gln Tyr Cys
Trp Trp Ala His
Trp Trp His Ala
Trp Tyr Cys Lys
Trp Tyr Cys Gln
Trp Tyr Lys Cys
Trp Tyr Gln Cys
Tyr Cys Lys Trp
Tyr Cys Gln Trp
Tyr Cys Trp Lys
Tyr Cys Trp Gln
Tyr Lys Cys Trp
Tyr Lys Trp Cys
Tyr Gln Cys Trp
Tyr Gln Trp Cys
Tyr Trp Cys Lys
Tyr Trp Cys Gln
Tyr Trp Lys Cys
Tyr Trp Gln Cys
12S-acetoxy-punaglandin 1
ACS 67
Losartan N2-glucuronide
Pigment Red 149
10-Acetoxyoleuropein
12S-acetoxy-punaglandin 1
Ethylene glycol,1,2-propanediol,trimethylolpropane diallyl ether,maleic anhydride,phthalic anhydride polymer
Heraclenol 3-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside]
N-anilino-N-[4-[4-[[(Z)-N-anilino-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]iminobenzenecarboximidamide
Mupirocin calcium hydrate
Mupirocin (BRL-4910A, Pseudomonic acid) calcium hydrate is an orally active antibiotic isolated from Pseudomonas fluorescens. Mupirocin calcium hydrate apparently exerts its antimicrobial activity by reversibly inhibiting isoleucyl-transfer RNA, thereby inhibiting bacterial protein and RNA synthesis[1][2].
N,N-BIS(2,6-DIMETHYLPHENYL)PERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDE
2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-def]diisoquinoline-1,3,8,10(2H,9H)-tetrone
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-1-methyl-2,3-dioxopiperidine-4-carboxamide
Benzenesulfonic acid, hexadecyl(sulfophenoxy)-, disodium salt
(2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester
3-({5-Benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile
3-[N-[Benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
3-[(2E)-2-[[3-(2-carboxyethyl)-5-[3-ethenyl-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carbonyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid
3-[(2E)-2-[[3-(2-carboxyethyl)-5-[4-ethenyl-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrole-2-carbonyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid
Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside
Myrciacitrin V
A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 2 and 5, methyl groups at positions 6 and 8 and a (6-O-p-hydroxybenzoyl)-beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against aldose reductase.
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone
Benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-5-propan-2-yl-1-pyrimidinyl)-2-oxolanyl]methyl ester
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(4R,5R)-4-[[2-(azidomethyl)phenyl]methyl]-5-(2-azidophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N-(3-methoxypropyl)-5H-oxazole-4-carboxamide
3-fluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
3-fluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
[(1S,2S,3S,5S,7R,8R,9S,13R)-8-acetyloxy-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3-oxane]-3-yl] (E)-2-methylbut-2-enoate
Garsorasib
Garsorasib is a potent inhibitor of KRAS G12C with an IC50 of 10 nM. Garsorasib has the potential for the research of various cancer such as pancreatic cancer, endometrial cancer, colorectal cancer, or lung cancer (non-small cell lung cancer) (extracted from patent WO2020233592A1, compound 2)[1].
methyl 2-[11,24-dihydroxy-18-(2-methoxy-2-oxoethyl)-7,20-dimethyl-9,22-dioxo-6,19-dioxaheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁶,²¹.0²³,²⁷.0¹⁴,²⁸]octacosa-1,3(8),10(28),11,13,15(27),16(21),23,25-nonaen-5-yl]acetate
(1'r,2r,2's,3's,7's,8'r,9'r,10'r,11'r,13's,14'r,17'r)-2',7',9'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate
(1s,2s,3s,4s,7s,8z,10s,11r,12s,13r,16r,17s)-10,12,16-tris(acetyloxy)-3,4,11,17-tetrahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-2-yl acetate
(2s,3r,4s,5s,6r)-2-{4-[(2s,3s,4s,5s)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[3,4,5-tris(acetyloxy)-6-({4-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-yl}oxy)oxan-2-yl]methyl acetate
methyl (4s,5e,6s)-5-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate
(6-{[2-(2,5-dihydroxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxybenzoate
(2r,3r,4s,5s,6r)-2-[(2r,3s)-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
3,4,5',6',9,10'-hexamethoxy-[1,1'-biphenanthrene]-2,2',7,7'-tetrol
4-{[4-(acetyloxy)-2,9,10-trihydroxy-8-(5-hydroxy-6-methyloxan-2-yl)-2-methyl-1,5-dioxo-3h,4h-benzo[b]fluoren-3-yl]oxy}-4-oxobutanoic acid
(2s,3r,4s,5s,6r)-2-{[(1r,3r)-10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(1's,2r,2's,3'r,4'r,7'r,8's,10'e,12's,13'r,14's,16's)-2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate
(2e)-1-{2,4-dihydroxy-3-[(2r,3s,4r,6s)-3-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
(3r)-10-hydroxy-7-methoxy-3-methyl-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,4h-naphtho[2,3-c]pyran-1-one
2-{[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-chloro-5-[(2e,4r)-4-{[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methyl-5-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
5-{8-chloro-12-hydroxy-10,13,14-trimethyl-9,16-dioxo-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-trien-5-yl}-3-methylpent-4-en-2-yl 2-methoxy-2-phenylacetate
(2r,3r,4s,5s,6r)-2-{[(2e)-3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2r,4r,6r,7r,11r,12r,14r,15s,16s,18s)-7-(furan-3-yl)-15-hydroxy-18-(2-methoxy-2-oxoethyl)-1,6,17,17-tetramethyl-9,19-dioxo-3,8,13-trioxahexacyclo[13.3.1.0²,⁴.0²,¹².0⁶,¹¹.0¹²,¹⁴]nonadecan-16-yl (2e)-2-methylbut-2-enoate
2,6,7-tris(acetyloxy)-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-9-yl acetate
(1s,2r,5s,6s,7s,8r,9s,12r)-7,8-bis(benzoyloxy)-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate
2',14',15'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate
(2s,4as,6as,7r,9s,10r,10ar,10bs)-9-(acetyloxy)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-10-yl acetate
(2r)-2-[(2s,3s)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
13-o-[β-d-apiofuranosyl(1→6)-β-d-gluco-pyranosyl]-(12r)-heraclenol
{"Ingredient_id": "HBIN001272","Ingredient_name": "13-o-[\u03b2-d-apiofuranosyl(1\u21926)-\u03b2-d-gluco-pyranosyl]-(12r)-heraclenol","Alias": "NA","Ingredient_formula": "C27H34O15","Ingredient_Smile": "CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1510","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-β-d-apiofuranosyl(1→2)]-β-d-glucopyranoside
{"Ingredient_id": "HBIN007415","Ingredient_name": "3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-\u03b2-d-apiofuranosyl(1\u21922)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H34O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6079","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}