Exact Mass: 413.2024536
Exact Mass Matches: 413.2024536
Found 438 metabolites which its exact mass value is equals to given mass value 413.2024536,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
AK toxin I
C23H27NO6 (413.18382820000005)
AK toxin I is produced by Alternaria alternata Japanese pear pathotyp
o-Desmethyl ranolazine
C23H31N3O4 (413.23144460000003)
Ethacizine
C22H27N3O3S (413.1773032000001)
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Formamide, N-((1-((2-(diethylamino)ethyl)amino)-7-methoxy-9-oxo-9H-thioxanthen-4-yl)methyl)-
C22H27N3O3S (413.1773032000001)
(Z)-7-[(1R,2R,3R,4S)-3-[(E)-C-Methyl-N-(phenylcarbamothioylamino)carbonimidoyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
SR271425
C22H27N3O3S (413.1773032000001)
CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7383; ORIGINAL_PRECURSOR_SCAN_NO 7381 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7419; ORIGINAL_PRECURSOR_SCAN_NO 7418 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7419; ORIGINAL_PRECURSOR_SCAN_NO 7417 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7456; ORIGINAL_PRECURSOR_SCAN_NO 7453 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7467; ORIGINAL_PRECURSOR_SCAN_NO 7466 CONFIDENCE standard compound; INTERNAL_ID 716; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7462; ORIGINAL_PRECURSOR_SCAN_NO 7460
N-[4-(Benzyloxy)phenyl]-4-(3-cyano-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxamide
2-benzyl-3-phenyl-propionic acid-[2-(3-diethylamino-propylsulfanyl)-ethyl ester]|2-Benzyl-3-phenyl-propionsaeure-[2-(3-diaethylamino-propylmercapto)-aethylester]
C25H35NO2S (413.23883700000005)
bruceolline N
C19H27NO9 (413.16857319999997)
An indole alkaloid that is 2,3-dihydro-1H-indole substituted by hydroxy group at position 3, a 2,3-dihydroxy-3-methylbutyl group at position 3, an oxo group at position 2 and a beta-D-glucopyranosyl group attached to the indolic nitrogen. It has been isolated from the ethanol extract of the stems of Brucea mollis.
(13R)-2alpha,13-diacetyl-11alpha-hydroxyhetisane|trichodelphinine D
isariotin F
C21H32ClNO5 (413.19688920000004)
An organic heterobicyclic compound that is a lactol isolated from the entomopathogenic fungus Isaria tenuipes and exhibits antimalarial and antineoplastic activities.
beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-L-alanyl]glucopyranoside
(+)-O-ethyloreogenine|ethyloreogenine
C23H27NO6 (413.18382820000005)
Heliosupine N-oxide
Echimidine N-oxide
Sumatriptan succinate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan succinate (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan succinate can be used for migraine headache research[1][2][3][4].
N-(2-(2,3,4,5-tetramethoxychalcon-2-yl)-ethyl)-acetamide
C23H27NO6 (413.18382820000005)
Physostigmine salicylate
C22H27N3O5 (413.19506120000005)
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor Physostigmine salicylate (Eserine salicylate) is a reversible acetylcholinesterase (AChE) inhibitor. Physostigmine salicylate crosses the blood-brain barrier and stimulates central cholinergic neurotransmission. Physostigmine salicylate can reverse memory deficits in transgenic mice with Alzheimer's disease. Physostigmine salicylate is also an antidote for anticholinergic poisoning[1][2][3][4].
Ala Ala Pro Arg
Ala Ala Arg Pro
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Ala Ile Pro Asn
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Ala Leu Pro Asn
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Ala Asn Leu Pro
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Ala Pro Ala Arg
Ala Pro Ile Asn
Ala Pro Leu Asn
Ala Pro Asn Ile
Ala Pro Asn Leu
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Ala Pro Arg Ala
Ala Pro Val Gln
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Ala Gln Val Pro
Ala Arg Ala Pro
Ala Arg Pro Ala
Ala Val Pro Gln
Ala Val Gln Pro
Gly His Asn Ser
Gly His Ser Asn
Gly Ile Pro Gln
Gly Ile Gln Pro
Gly Leu Pro Gln
Gly Leu Gln Pro
Gly Asn His Ser
Gly Asn Ser His
Gly Pro Ile Gln
Gly Pro Leu Gln
Gly Pro Gln Ile
Gly Pro Gln Leu
Gly Gln Ile Pro
Gly Gln Leu Pro
Gly Gln Pro Ile
Gly Gln Pro Leu
Gly Ser His Asn
Gly Ser Asn His
His Gly Asn Ser
His Gly Ser Asn
His Asn Gly Ser
His Asn Ser Gly
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Ile Ala Asn Pro
Ile Ala Pro Asn
Ile Gly Pro Gln
Ile Gly Gln Pro
Ile Asn Ala Pro
Ile Asn Pro Ala
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Ile Pro Gly Gln
Ile Pro Asn Ala
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Asn Ala Leu Pro
Asn Ala Pro Ile
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Asn Gly His Ser
Asn Gly Ser His
Asn His Gly Ser
Asn His Ser Gly
Asn Ile Ala Pro
Asn Ile Pro Ala
Asn Leu Ala Pro
Asn Leu Pro Ala
Asn Pro Ala Ile
Asn Pro Ala Leu
Asn Pro Ile Ala
Asn Pro Leu Ala
Asn Pro Pro Ser
Asn Pro Ser Pro
Asn Ser Gly His
Asn Ser His Gly
Asn Ser Pro Pro
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Pro Ala Ile Asn
Pro Ala Leu Asn
Pro Ala Asn Ile
Pro Ala Asn Leu
Pro Ala Gln Val
Pro Ala Arg Ala
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Pro Gly Ile Gln
Pro Gly Leu Gln
Pro Gly Gln Ile
Pro Gly Gln Leu
Pro Ile Ala Asn
Pro Ile Gly Gln
Pro Ile Asn Ala
Pro Ile Gln Gly
Pro Leu Ala Asn
Pro Leu Gly Gln
Pro Leu Asn Ala
Pro Leu Gln Gly
Pro Asn Ala Ile
Pro Asn Ala Leu
Pro Asn Ile Ala
Pro Asn Leu Ala
Pro Asn Pro Ser
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Pro Pro Asn Ser
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Pro Gln Gly Ile
Pro Gln Gly Leu
Pro Gln Ile Gly
Pro Gln Leu Gly
Pro Gln Val Ala
Pro Arg Ala Ala
Pro Ser Asn Pro
Pro Ser Pro Asn
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Pro Val Gln Ala
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Gln Ala Val Pro
Gln Gly Ile Pro
Gln Gly Leu Pro
Gln Gly Pro Ile
Gln Gly Pro Leu
Gln Ile Gly Pro
Gln Ile Pro Gly
Gln Leu Gly Pro
Gln Leu Pro Gly
Gln Pro Ala Val
Gln Pro Gly Ile
Gln Pro Gly Leu
Gln Pro Ile Gly
Gln Pro Leu Gly
Gln Pro Val Ala
Gln Val Ala Pro
Gln Val Pro Ala
Arg Ala Ala Pro
Arg Ala Pro Ala
Arg Pro Ala Ala
Ser Gly His Asn
Ser Gly Asn His
Ser His Gly Asn
Ser His Asn Gly
Ser Asn Gly His
Ser Asn His Gly
Ser Asn Pro Pro
Ser Pro Asn Pro
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tert-butyl (4S,7R)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate
C22H27N3O5 (413.19506120000005)
Fmoc-(S)-2-tetrahydroisoquinoline acetic acid
C26H23NO4 (413.16269980000004)
Delanzomib
C21H28BN3O5 (413.21219080000003)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061988 - Proteasome Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor
FMOC-(2S,5R)-5-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
C26H23NO4 (413.16269980000004)
(S)-4-((10,12-DIOXO-12-((2-OXOTETRAHYDROFURAN-3-YL)AMINO)DODECYL)OXY)-4-OXOBUTANOIC ACID
Fmoc-(2R,5S)-5-phenylpyrrolidine-2-carboxylic acid
C26H23NO4 (413.16269980000004)
Fmoc-(R)-2-Tetrahydroisoquinoline Acetic Acid
C26H23NO4 (413.16269980000004)
2-CHLORO-9-ISOPROPYL-N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-9H-PURIN-6-AMINE
n,n-dibenzyl-o-(t-butyldimethylsilyl)-l-serine methyl ester
C24H35NO3Si (413.23860800000006)
Lasofoxifene
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XC - Selective estrogen receptor modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
N-(1-methylpyrazol-3-yl)-3,5-bis(phenylmethoxy)benzamide
Fluspiperone
C23H25F2N3O2 (413.19147339999995)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Spiro[2H-indole-2,3-[3H]naphth[2,1-b][1,4]oxazine], 1,3-dihydro-1,3,3-triMethyl-6-(4-Morpholinyl)-
Amiselimod hydrochloride
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
TRIS EDTA BUFFER, DNASE, RNASE, PROTEASE FREE READY TO USE, PH 8.0, FOR MOLECULAR BIOLOGY
Fmoc-(DL)-2-aminotetraline-2-carboxylic acid
C26H23NO4 (413.16269980000004)
N-BETA(AMINOETHYL)-GAMMA-AMINOPROPYLMETHYLLDIMETHOXYSILANE
3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo(3.2.1)octane bromide monohydrate
(1R,2S)-2-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL
1-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propyl)-5-methoxy-3,4-dihydro-2-quinolinone
C23H28ClN3O2 (413.18699380000004)
Methyl 2-benzamido-1-(3-phenylpropyl)-1H-benzo[d]imidazole-5-carboxylate
N-[4-[2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
C22H27N3O3S (413.1773032000001)
Butyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3-Methyl-7-[(4-methylphenyl)methyl]-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione
C21H27N5O2S (413.18853620000004)
5-Cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
Phosphonic acid, [2-[bis(trimethylsilyl)amino]ethyl]-, bis(trimethylsilyl) ester
3-(5-(4-(1H-imidazol-1-yl)phenyl)-1-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-2-yl)propanoate
(2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylsulfonio]-2-azaniumylbutanoate
C16H25N6O5S+ (413.16070600000006)
(E)-7-[3-[(E)-C-methyl-N-(phenylcarbamothioylamino)carbonimidoyl]norbornan-2-yl]hept-5-enoic acid
N-[2-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxyphenyl]ethyl]acetamide
C23H27NO6 (413.18382820000005)
2-(N-(2-chloro-1-oxoethyl)-3,4-dimethylanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide
C23H28ClN3O2 (413.18699380000004)
3-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone
3-Methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
3-[8-imino-7-(4-methoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]propan-1-ol
2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamide
N-[4-(1-adamantyl)-2-thiazolyl]-N-[(4-fluorophenyl)methyl]oxamide
2-[4-(9H-fluoren-9-yl)-1-piperazinyl]-N-(4-methoxyphenyl)acetamide
5-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile
Ethyl 1-[2-({3-[ethyl(phenyl)amino]propyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperidine-4-carboxylate
C23H31N3O4 (413.23144460000003)
[1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
C24H28ClNO3 (413.17576080000003)
2-Cyano-3-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)methyl]propanoic acid ethyl ester
C23H27NO6 (413.18382820000005)
N-(2-{6-[(2-Hydroxy-benzoyl)-hydrazonomethyl]-7-methoxy-benzo[1,3]dioxol-5-yl}-ethyl)-N-methyl-acetamide
N-(1H-indol-5-yl)-1-[3-methyl-2-[[2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxamide
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-(5-chloro-2-methoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
C23H28ClN3O2 (413.18699380000004)
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
(2R,3S,4R)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(1S,5R)-N-(4-fluorophenyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
[(1R)-2-[(2,5-difluorophenyl)methyl]-7-methoxy-1-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
C25H23N3OS (413.15617480000003)
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(1S,9R,10R,11R)-5-(cyclopenten-1-yl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C23H31N3O4 (413.23144460000003)
N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
(2R,3S,4R)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-1,3-thiazol-2-yl)azetidine-2-carbonitrile
C25H23N3OS (413.15617480000003)
(2R,3R,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
(1R,9S,10S,11S)-5-(cyclopenten-1-yl)-10-(hydroxymethyl)-6-oxo-12-propanoyl-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C23H31N3O4 (413.23144460000003)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[[(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
C25H23N3OS (413.15617480000003)
[(1S)-2-[(2,5-difluorophenyl)methyl]-7-methoxy-1-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C21H27N5O4 (413.20629420000006)
N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C19H31N3O5S (413.19843160000005)
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
C19H31N3O5S (413.19843160000005)
(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
C25H23N3OS (413.15617480000003)
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
C25H23N3OS (413.15617480000003)
N,N-dimethyl-4-[4-[(1S,5R)-3-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
(1R,5S)-N-(2-methoxyphenyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
[(1S)-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(4-oxanyl)methanone
C23H31N3O4 (413.23144460000003)
(2R,3R)-1-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C23H28ClN3O2 (413.18699380000004)
[(1S)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-(4-oxanyl)methanone
C23H31N3O4 (413.23144460000003)
[(1R)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-(4-oxanyl)methanone
C23H31N3O4 (413.23144460000003)
(2S,3R)-1-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C23H28ClN3O2 (413.18699380000004)
(2S,3S)-1-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
C23H28ClN3O2 (413.18699380000004)
[(1S)-1-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
[(1R)-1-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C23H25F2N3O2 (413.19147339999995)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-[(E)-prop-1-enyl]-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C20H26F3N3O3 (413.1926162000001)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-[(E)-prop-1-enyl]-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C20H26F3N3O3 (413.1926162000001)
[(4R,7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
2-Amino-3-[(3-decanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
2-(2-Butyl-5-methyl-1,3,2-dioxaborolan-4-yl)methoxy-N-(2-ethylaminoethyl)-4-quinolinecarboxamide
Ethacizine
C22H27N3O3S (413.1773032000001)
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
KRAS inhibitor-3
KRAS inhibitor-3 is an inhibitor of KRAS inhibitor. KRAS inhibitor-3 binds to WT and oncogenic KRAS mutants with high affinity (KD: 0.28 μM for KRAS WT, 0.63 μM for KRAS G12C, 0.37 μM for KRAS G12D, 0.74 μM for KRAS Q61H). KRAS inhibitor-3 also disrupts interaction of KRAS with Raf[1].
22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁸,¹³]pentacosa-2(19),3,5(18),7,9,11,13,15-octaene-6,17-dione
C26H23NO4 (413.16269980000004)
(1r,21s,22s,23r)-22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.0²,¹⁹.0⁵,¹⁸.0⁷,¹⁶.0⁸,¹³]pentacosa-2(19),3,5(18),7,9,11,13,15-octaene-6,17-dione
C26H23NO4 (413.16269980000004)
(2s)-2-{[(2s)-1-hydroxy-2-{[hydroxy((2s)-pyrrolidin-2-yl)methylidene]amino}-3-(1h-indol-3-yl)propylidene]amino}-4-methylpentanimidic acid
(2e)-n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl]dodec-2-enimidic acid
C21H32ClNO5 (413.19688920000004)
(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2s)-2-aminopropanoate
n-[(2r,3s,4as,8r,8ar)-8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl]dodec-2-enimidic acid
C21H32ClNO5 (413.19688920000004)
ambinine
C23H27NO6 (413.18382820000005)
{"Ingredient_id": "HBIN015825","Ingredient_name": "ambinine","Alias": "NA","Ingredient_formula": "C23H27NO6","Ingredient_Smile": "CC12C(CC3=CC(=C(C=C3C1N(CC4=C5C(=C(C=C24)OC)OCO5)C)OC)OC)O","Ingredient_weight": "413.46","OB_score": "NA","CAS_id": "96935-26-1","SymMap_id": "NA","TCMID_id": "1023","TCMSP_id": "NA","TCM_ID_id": "6842","PubChem_id": "14760581","DrugBank_id": "NA"}
2-{[1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-6-(methoxymethyl)oxane-3,4,5-triol
4,5,13,14-tetramethoxy-18-methyl-19-oxa-10-azapentacyclo[9.7.2.0¹,¹⁰.0²,⁷.0¹²,¹⁷]icosa-2(7),3,5,12(17),13,15-hexaen-18-ol
C23H27NO6 (413.18382820000005)
(7r,7ar)-1-({[(2r)-2,3-dihydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-7-{[(2z)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-4-ium-4-olate
n-(8-chloro-2,4a-dihydroxy-5-oxo-3,4,8,8a-tetrahydro-2h-1-benzopyran-3-yl)dodec-2-enimidic acid
C21H32ClNO5 (413.19688920000004)
(4e)-10-acetyl-11,13-dihydroxy-2,12-dimethyl-4-[1-(pentylamino)ethylidene]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraene-3,5-dione
C23H27NO6 (413.18382820000005)
(2e)-8-({2-[(1-hydroxyethylidene)amino]-3-phenylbutanoyl}oxy)-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
C23H27NO6 (413.18382820000005)
2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one
8-({2-[(1-hydroxyethylidene)amino]-3-phenylbutanoyl}oxy)-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
C23H27NO6 (413.18382820000005)
(1s,4s,20r,24r)-4,25,25-trimethyl-26,27-dioxa-8-azaheptacyclo[22.2.1.0¹,²¹.0⁴,²⁰.0⁵,¹⁷.0⁷,¹⁵.0⁹,¹⁴]heptacosa-5,7(15),9(14),10,12,16,21-heptaen-23-one
4,25,25-trimethyl-26,27-dioxa-8-azaheptacyclo[22.2.1.0¹,²¹.0⁴,²⁰.0⁵,¹⁷.0⁷,¹⁵.0⁹,¹⁴]heptacosa-5,7(15),9(14),10,12,16,21-heptaen-23-one
(2e,4e,6e,8s)-8-{[(2s,3s)-2-[(1-hydroxyethylidene)amino]-3-phenylbutanoyl]oxy}-8-[(2s)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid
C23H27NO6 (413.18382820000005)
1-methyl (1r,3r,5s,6r)-8-methyl-6-{[(2e)-3-phenylprop-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-2-methylbut-2-enedioate
C23H27NO6 (413.18382820000005)
(2e,4z,6e)-8-({2-[(1-hydroxyethylidene)amino]-3-phenylbutanoyl}oxy)-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
C23H27NO6 (413.18382820000005)
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-aminopropanoate
(1r,11r,18s)-4,5,13,14-tetramethoxy-18-methyl-19-oxa-10-azapentacyclo[9.7.2.0¹,¹⁰.0²,⁷.0¹²,¹⁷]icosa-2(7),3,5,12(17),13,15-hexaen-18-ol
C23H27NO6 (413.18382820000005)
1-methyl 8-methyl-6-[(3-phenylprop-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl 2-methylbut-2-enedioate
C23H27NO6 (413.18382820000005)
2-[(1-hydroxy-2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-3-(1h-indol-3-yl)propylidene)amino]-4-methylpentanimidic acid
3,5-dihydroxy-2,7-dimethyl-6-oxo-15-oxa-9-azahexacyclo[12.6.1.0²,¹¹.0³,⁹.0⁵,²⁰.0¹⁸,²¹]henicosa-1(20),14(21),18-trien-19-yl acetate
C23H27NO6 (413.18382820000005)
4-methoxy-3-methyl-5-[(4e)-3-methyl-11-(4-methyl-5-oxooxolan-2-yl)-5-oxa-10-azatricyclo[8.3.0.0²,⁶]trideca-1(13),11-dien-4-ylidene]furan-2-one
C23H27NO6 (413.18382820000005)
(2s,3r,4s,5s,6r)-2-{[(1r,2s)-1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-6-(methoxymethyl)oxane-3,4,5-triol
1-({[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxy}methyl)-7-[(2-methylbut-2-enoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-4-ium-4-olate
1-[(12s,13r)-7-methoxy-13-(2-oxopropyl)-3,11,21-triazapentacyclo[12.7.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(14),2,4,6,8,10,15,17,19-nonaen-12-yl]propan-2-one
(2e,4z,6e,8s)-8-{[(2r,3s)-2-[(1-hydroxyethylidene)amino]-3-phenylbutanoyl]oxy}-8-[(2r)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid
C23H27NO6 (413.18382820000005)
3-[(1s)-1-{6-hydroxy-5-[(methylsulfanyl)methyl]-3-(2-oxocyclopentylidene)-4,5-dihydro-2h-pyrazin-2-yl}ethyl]-1-methyl-3h-indol-2-one
C22H27N3O3S (413.1773032000001)
4-methoxy-3-methyl-5-[(2r,3s,4e,6r)-3-methyl-11-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]trideca-1(13),11-dien-4-ylidene]furan-2-one
C23H27NO6 (413.18382820000005)
(2s,3s,5r,7r,11s)-3,5-dihydroxy-2,7-dimethyl-6-oxo-15-oxa-9-azahexacyclo[12.6.1.0²,¹¹.0³,⁹.0⁵,²⁰.0¹⁸,²¹]henicosa-1(20),14(21),18-trien-19-yl acetate
C23H27NO6 (413.18382820000005)
2-{[1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
methyl 3,5-dihydroxy-2,7-dimethyl-6-oxo-15-oxa-9-azahexacyclo[12.6.1.0²,¹¹.0³,⁹.0⁵,²⁰.0¹⁸,²¹]henicosa-1(20),14(21),18-triene-19-carboxylate
C23H27NO6 (413.18382820000005)