Exact Mass: 598.2573408000001
Exact Mass Matches: 598.2573408000001
Found 346 metabolites which its exact mass value is equals to given mass value 598.2573408000001
,
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
C24H54OSn2 (598.2218413999999)
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyll d.
Hematoporphyrin IX
Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these phosphosensitizing agents are used in the phototherapy of malignant neoplasms. -- Pubchem [HMDB] Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these phosphosensitizing agents are used in the phototherapy of malignant neoplasms. -- Pubchem.
H-Phe-D-met-arg-phe-NH2
Hematoporphyrin
Rupintrivir
C31H39FN4O7 (598.2802635999999)
calyxin A
HEMATOPORPHYRIN
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D006415 - Hematoporphyrins C1420 - Photosensitizing Agent D003879 - Dermatologic Agents
(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
15-??-Hydroxylineolon 3-O-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-oleandropyranosyl-(1鈥樏傗垎4)-??-D-digitoxopyranosyl-(1鈥樏傗垎4)-??-D-cymaropyranosyl-(1鈥樏傗垎4)-??-D-cymaropyranoside
6beta,7beta-diacetoxy-8,13-epoxy-labd-14-en-11-one-1alpha-O-beta-glucopyranoside|forskoditerpenoside D
(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
5,7,14-triacetoxy-3-benzoyloxy-15-hydroxy-9-oxojatropha-6(17),11E-diene
3,5-bis(3-methyl-2-butenyl)-4-O-[beta-D-glucopyranosyl-(1?4)-beta-D-glucopyranosyl]benzoic acid
3beta-benzoyloxy-15beta-hydroxy-7beta,8beta,9alpha-triacetoxy-14-oxo-2betaH,13alphaH-jatropha-5E,11E-diene|euphomelliferine
2-(4-{[(3-ethylheptanoyl)oxy]methyl}phenyl)-5-methoxy-4-oxo-4H-chromen-7-yl (E)-3-(4-methoxyphenyl)-2-propenoate|prunusin A
(2S,3S,4R,5R,6R,8R,12S,13S,14R,15R)-5,8,14-triacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane|5,8,14-triacetoxy-3-benzoyloxy-15-hydroxy-9-oyoparaliane|Paraliane 13|paraliane diterpene
3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxy-1-(E)-propenyl)-26-dimethoxyphenoxy]propyl-beta-D-glucopyranoside
(1S,4R,5S,6R,7R,8R,9S,10S)-1,8,9-tribenzoyloxy-6-hydroxydihydro-beta-agarofuran
C33H42O10_1H-Cyclopent[a]-s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)
(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
Ala His Trp Trp
Ala Trp His Trp
Ala Trp Trp His
Cys Lys Trp Tyr
C29H38N6O6S (598.2573408000001)
Cys Lys Tyr Trp
C29H38N6O6S (598.2573408000001)
Cys Gln Trp Tyr
C28H34N6O7S (598.2209574000001)
Cys Gln Tyr Trp
C28H34N6O7S (598.2209574000001)
Cys Trp Lys Tyr
C29H38N6O6S (598.2573408000001)
Cys Trp Gln Tyr
C28H34N6O7S (598.2209574000001)
Cys Trp Tyr Lys
C29H38N6O6S (598.2573408000001)
Cys Trp Tyr Gln
C28H34N6O7S (598.2209574000001)
Cys Tyr Lys Trp
C29H38N6O6S (598.2573408000001)
Cys Tyr Gln Trp
C28H34N6O7S (598.2209574000001)
Cys Tyr Trp Lys
C29H38N6O6S (598.2573408000001)
Cys Tyr Trp Gln
C28H34N6O7S (598.2209574000001)
Glu His Lys Trp
Glu His Gln Trp
Glu His Trp Lys
Glu His Trp Gln
Glu Lys His Trp
Glu Lys Trp His
Glu Gln His Trp
Glu Gln Trp His
Glu Trp His Lys
Glu Trp His Gln
Glu Trp Lys His
Glu Trp Gln His
Phe Asn Arg Tyr
Phe Asn Tyr Arg
Phe Arg Asn Tyr
Phe Arg Tyr Asn
Phe Tyr Asn Arg
Phe Tyr Arg Asn
His Ala Trp Trp
His Glu Lys Trp
His Glu Gln Trp
His Glu Trp Lys
His Glu Trp Gln
His Lys Glu Trp
His Lys Trp Glu
His Gln Glu Trp
His Gln Trp Glu
His Arg Thr Trp
C27H38N10O6 (598.2975647999999)
His Arg Trp Thr
C27H38N10O6 (598.2975647999999)
His Thr Arg Trp
C27H38N10O6 (598.2975647999999)
His Thr Trp Arg
C27H38N10O6 (598.2975647999999)
His Trp Ala Trp
His Trp Glu Lys
His Trp Glu Gln
His Trp Lys Glu
His Trp Gln Glu
His Trp Arg Thr
C27H38N10O6 (598.2975647999999)
His Trp Thr Arg
C27H38N10O6 (598.2975647999999)
His Trp Trp Ala
Lys Cys Trp Tyr
C29H38N6O6S (598.2573408000001)
Lys Cys Tyr Trp
C29H38N6O6S (598.2573408000001)
Lys Glu His Trp
Lys Glu Trp His
Lys His Glu Trp
Lys His Trp Glu
Lys Trp Cys Tyr
C29H38N6O6S (598.2573408000001)
Lys Trp Glu His
Lys Trp His Glu
Lys Trp Tyr Cys
C29H38N6O6S (598.2573408000001)
Lys Tyr Cys Trp
C29H38N6O6S (598.2573408000001)
Lys Tyr Trp Cys
C29H38N6O6S (598.2573408000001)
Asn Phe Arg Tyr
Asn Phe Tyr Arg
Asn Arg Phe Tyr
Asn Arg Tyr Phe
Asn Tyr Phe Arg
Asn Tyr Arg Phe
Gln Cys Trp Tyr
C28H34N6O7S (598.2209574000001)
Gln Cys Tyr Trp
C28H34N6O7S (598.2209574000001)
Gln Glu His Trp
Gln Glu Trp His
Gln His Glu Trp
Gln His Trp Glu
Gln Trp Cys Tyr
C28H34N6O7S (598.2209574000001)
Gln Trp Glu His
Gln Trp His Glu
Gln Trp Tyr Cys
C28H34N6O7S (598.2209574000001)
Gln Tyr Cys Trp
C28H34N6O7S (598.2209574000001)
Gln Tyr Trp Cys
C28H34N6O7S (598.2209574000001)
Arg Phe Asn Tyr
Arg Phe Tyr Asn
Arg His Thr Trp
C27H38N10O6 (598.2975647999999)
Arg His Trp Thr
C27H38N10O6 (598.2975647999999)
Arg Asn Phe Tyr
Arg Asn Tyr Phe
Arg Thr His Trp
C27H38N10O6 (598.2975647999999)
Arg Thr Trp His
C27H38N10O6 (598.2975647999999)
Arg Trp His Thr
C27H38N10O6 (598.2975647999999)
Arg Trp Thr His
C27H38N10O6 (598.2975647999999)
Arg Tyr Phe Asn
Arg Tyr Asn Phe
Thr His Arg Trp
C27H38N10O6 (598.2975647999999)
Thr His Trp Arg
C27H38N10O6 (598.2975647999999)
Thr Arg His Trp
C27H38N10O6 (598.2975647999999)
Thr Arg Trp His
C27H38N10O6 (598.2975647999999)
Thr Trp His Arg
C27H38N10O6 (598.2975647999999)
Thr Trp Arg His
C27H38N10O6 (598.2975647999999)
Trp Ala His Trp
Trp Ala Trp His
Trp Cys Lys Tyr
C29H38N6O6S (598.2573408000001)
Trp Cys Gln Tyr
C28H34N6O7S (598.2209574000001)
Trp Cys Tyr Lys
C29H38N6O6S (598.2573408000001)
Trp Cys Tyr Gln
C28H34N6O7S (598.2209574000001)
Trp Glu His Lys
Trp Glu His Gln
Trp Glu Lys His
Trp Glu Gln His
Trp His Ala Trp
Trp His Glu Lys
Trp His Glu Gln
Trp His Lys Glu
Trp His Gln Glu
Trp His Arg Thr
C27H38N10O6 (598.2975647999999)
Trp His Thr Arg
C27H38N10O6 (598.2975647999999)
Trp His Trp Ala
Trp Lys Cys Tyr
C29H38N6O6S (598.2573408000001)
Trp Lys Glu His
Trp Lys His Glu
Trp Lys Tyr Cys
C29H38N6O6S (598.2573408000001)
Trp Gln Cys Tyr
C28H34N6O7S (598.2209574000001)
Trp Gln Glu His
Trp Gln His Glu
Trp Gln Tyr Cys
C28H34N6O7S (598.2209574000001)
Trp Arg His Thr
C27H38N10O6 (598.2975647999999)
Trp Arg Thr His
C27H38N10O6 (598.2975647999999)
Trp Thr His Arg
C27H38N10O6 (598.2975647999999)
Trp Thr Arg His
C27H38N10O6 (598.2975647999999)
Trp Trp Ala His
Trp Trp His Ala
Trp Tyr Cys Lys
C29H38N6O6S (598.2573408000001)
Trp Tyr Cys Gln
C28H34N6O7S (598.2209574000001)
Trp Tyr Lys Cys
C29H38N6O6S (598.2573408000001)
Trp Tyr Gln Cys
C28H34N6O7S (598.2209574000001)
Tyr Cys Lys Trp
C29H38N6O6S (598.2573408000001)
Tyr Cys Gln Trp
C28H34N6O7S (598.2209574000001)
Tyr Cys Trp Lys
C29H38N6O6S (598.2573408000001)
Tyr Cys Trp Gln
C28H34N6O7S (598.2209574000001)
Tyr Phe Asn Arg
Tyr Phe Arg Asn
Tyr Lys Cys Trp
C29H38N6O6S (598.2573408000001)
Tyr Lys Trp Cys
C29H38N6O6S (598.2573408000001)
Tyr Asn Phe Arg
Tyr Asn Arg Phe
Tyr Gln Cys Trp
C28H34N6O7S (598.2209574000001)
Tyr Gln Trp Cys
C28H34N6O7S (598.2209574000001)
Tyr Arg Phe Asn
Tyr Arg Asn Phe
Tyr Trp Cys Lys
C29H38N6O6S (598.2573408000001)
Tyr Trp Cys Gln
C28H34N6O7S (598.2209574000001)
Tyr Trp Lys Cys
C29H38N6O6S (598.2573408000001)
Tyr Trp Gln Cys
C28H34N6O7S (598.2209574000001)
12S-acetoxy-punaglandin 1
12S-acetoxy-punaglandin 1
H-Phe-Met-D-Arg-Phe-NH2
Ethylene glycol,1,2-propanediol,trimethylolpropane diallyl ether,maleic anhydride,phthalic anhydride polymer
N-anilino-N-[4-[4-[[(Z)-N-anilino-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]iminobenzenecarboximidamide
Rupintrivir
C31H39FN4O7 (598.2802635999999)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Mupirocin calcium hydrate
C26H44O9.1/2Ca.H2O (598.2342636000001)
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].
R-3,3-bis([1,1-biphenyl]-4-yl)-5,5,6,6,7,7,8,8-octahydro-[1,1-Binaphthalene]-2,2-diol
Forskoditerpenoside D
A diterpene glycoside that is labd-14-en-11-one substituted by beta-acetoxy groups at positions 6 and 7, an epoxy group between positions 8 and 13 and a beta-D-glucopyranosyloxy group at position 1 (the 1alpha stereoisomer). Isolated from the whole plant of Coleus forskohlii, it shows relaxative effects on isolated guinea pig tracheal spirals in vitro.
5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane
3-[N-[Benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
(1R)-1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
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
3-[(21S,22S)-12-(dihydroxymethyl)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-17,19,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
4-[[2-[(4-Fluorophenyl)methyl]-6-methyl-5-[(5-methyl-3-isoxazolyl)carbonylamino]-1,4-dioxoheptyl]amino]-5-(2-oxo-3-pyrrolidinyl)-2-pentenoic acid ethyl ester
C31H39FN4O7 (598.2802635999999)
[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
(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-(1,3-benzodioxol-5-yl)-1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea
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
3-(1,3-benzodioxol-5-yl)-1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
C33H38N6O5 (598.2903537999999)
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-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]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
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
C33H38N6O5 (598.2903537999999)
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
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
C33H38N6O5 (598.2903537999999)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
C33H38N6O5 (598.2903537999999)
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,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]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)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]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
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]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
3-(1,3-benzodioxol-5-yl)-1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea
3-(1,3-benzodioxol-5-yl)-1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea
(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
3-(1,3-benzodioxol-5-yl)-1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
C30H47O10P (598.2906691999999)
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] nonanoate
[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] hexanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] heptanoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
C30H47O10P (598.2906691999999)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
C26H47O13P (598.2754141999999)
[1-butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate
C26H47O13P (598.2754141999999)
[(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
[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
C26H47O13P (598.2754141999999)
Berbamuninium(2+)
Dication of berbamunine arsing from protonation of both tertiary amino groups; major species at pH 7.3.
Garsorasib
C32H32F2N8O2 (598.2616155999999)
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-[6-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,5,15,15-tetramethyl-14-[(3-methyl-2-oxopent-3-en-1-yl)oxy]-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-16-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
4,11,13-tris(acetyloxy)-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-9-oxo-1h,2h,3h,4h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl benzoate
2-{[(1-{2-[(3-amino-10-chloro-1,2-dihydroxydecylidene)amino]-3-hydroxybutanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
C28H43ClN4O8 (598.2769268000001)
[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
(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
(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
(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
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
C30H43ClO10 (598.2544608000001)