Exact Mass: 549.1918276

Exact Mass Matches: 549.1918276

Found 351 metabolites which its exact mass value is equals to given mass value 549.1918276, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Jadomycin B

(1S)-1-[(2S)-butan-2-yl]-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside

C30H31NO9 (549.1998716)

A jadomycin that is jadomycin A in which the phenolic hydroxy group at position 12 has been converted to the corresponding 2,6-dideoxy-alpha-L-ribo-hexopyranoside, isolated from Streptomyces venezuelae. It exists as a diastereoisomeric mixture consisting of both 3aS and 3aR isomers.

N-(S-Nitroso-N-acetyl-D,L-penicillamine)-2-amino-2-deoxy-1,3,4,6-tetra-O-acetyl-beta-D-glucopyranose

[3,4,6-tris(acetyloxy)-5-[2-acetamido-3-methyl-3-(nitrososulfanyl)butanamido]oxan-2-yl]methyl acetate

Donepezil Benzyl Bromide

C31H36BrNO3 (549.1878406000001)

disodium (Z)-[2-[(1-oxooctadec-9-enyl)amino]ethyl] 2-sulphonatosuccinate

C24H41NNa2O8S (549.2348146)

TERT-BUTYL 4-(4-(6-AMINO-5-((R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)PYRIDIN-3-YL)-1H-PYRAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE

C26H30Cl2FN5O3 (549.1709622)

6N-Hydroxymethyl Tenofovir Disoproxil

C20H32N5O11P (549.1835851999999)

(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid

C23H31N7O7S (549.2005576)

[5-[(2-Acetamido-3-methyl-3-nitrososulfanylbutanoyl)amino]-3,4,6-triacetyloxyoxan-2-yl]methyl acetate

C21H31N3O12S (549.1628366)

Dibekacin sulfate

C18H39N5O12S (549.2315814000001)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid

C22H30F3N5O8 (549.2046376000001)

Ubrogepant

C29H26F3N5O3 (549.1987642)

N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

(1S)-1-[(2S)-butan-2-yl]-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside

C30H31NO9 (549.1998716)

(3aR)-jadomycin B

C30H31NO9 (549.1998716)

(2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester

C26H36ClN5O6 (549.2353986)

Jadomycin DNL

ERK1/2 inhibitor 1

C29H32ClN5O4 (549.2142702)

ERK1/2 inhibitor 1 is a potent, orally bioavailable ERK1/2 inhibitor, showing 60\% inhibition at 1 nM and an IC50 of 3.0 nM against ERK1 and ERK2, respectively[1].

[(1r,2s,10r,12r,13s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl propanoate

C29H31N3O8 (549.2111046)

(3s)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-3-(sec-butyl)-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

(3s)-19-{[(2s,4r,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-3-(sec-butyl)-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

C30H31NO9 (549.1998716)

16-chloro-3-ethyl-1,4,7,11-tetrahydroxy-13-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C25H32ClN5O7 (549.1990152000001)

2,3-dihydroxy-n-(4-hydroxybutyl)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C31H35NO8 (549.236255)

(3r)-3-butyl-19-{[(2s,5r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.0²,⁶.0⁷,¹².0¹⁵,²⁰]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione

C30H31NO9 (549.1998716)

24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione

24-ethyl-3,7,10,28-tetrahydroxy-14-methoxy-25-methyl-12,18,20-trioxa-25-azaheptacyclo[15.11.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²¹,²⁹.0²²,²⁷]nonacosa-1(29),2(15),3,6(11),13,21,23,27-octaene-5,26-dione

C29H27NO10 (549.1634882000001)

(2s,3r,4r,5s,6r)-2,3-dihydroxy-n-(4-hydroxybutyl)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C31H35NO8 (549.236255)

astin E

astin e

C25H32ClN5O7 (549.1990152000001)

{"Ingredient_id": "HBIN017205","Ingredient_name": "astin E","Alias": "astin e","Ingredient_formula": "C25H32ClN5O7","Ingredient_Smile": "CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2C(CC=C2Cl)C(=O)N1)C(C)O)C3=CC=CC=C3)CO","Ingredient_weight": "550","OB_score": "26.33722415","CAS_id": "153125-16-7","SymMap_id": "SMIT11508;SMIT14404","TCMID_id": "1933","TCMSP_id": "MOL010457","TCM_ID_id": "6547","PubChem_id": "NA","DrugBank_id": "NA"}

astin h

C25H32ClN5O7 (549.1990152000001)

(9r,10z,12s,13s,16s)-9-ethyl-4,12,19,23,25-pentahydroxy-3,16-dimethyl-13-(2-methylprop-1-en-1-yl)-14-oxa-20-azatetracyclo[19.3.1.0⁵,²⁴.0¹⁶,²²]pentacosa-1,3,5(24),10,17,19,21(25),22-octaene-6,15-dione

C31H35NO8 (549.236255)

n-[(2s,3r,4s,5r,6r)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

n-[(2s,3r,4s,5r,6r)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

(2s,3s,4s,5s,6r)-3-(acetyloxy)-2-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n-methyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboximidic acid

C30H31NO9 (549.1998716)

(8r,9s,10s,15r)-13-{[(2s,3s)-1-hydroxy-3-methyl-2-(methylamino)pentylidene]amino}-9-(c-hydroxycarbonimidoyloxy)-14-(4-hydroxyphenyl)-12-oxo-1,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6,13-tetraene-10-carboxylic acid

(8r,9s,10s,15r)-13-{[(2s,3s)-1-hydroxy-3-methyl-2-(methylamino)pentylidene]amino}-9-(c-hydroxycarbonimidoyloxy)-14-(4-hydroxyphenyl)-12-oxo-1,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6,13-tetraene-10-carboxylic acid

C28H31N5O7 (549.2223376)

14-(3,4-dimethoxyphenyl)-10,11-dihydroxy-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

C30H31NO9 (549.1998716)

4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl 3-hydroxy-3-(2-phenylethyl)butanedioate

C31H35NO8 (549.236255)

16-chloro-13-ethyl-1,4,7,11-tetrahydroxy-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyl-3h,6h,9h,10h,13h,18h,18ah-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecan-14-one

C25H32ClN5O7 (549.1990152000001)

(7s,10s,13s)-10-benzyl-8,11,14-trihydroxy-13-(1h-indol-3-ylmethyl)-3,9,12,15-tetraazatricyclo[14.4.0.0³,⁷]icosa-1(20),8,11,14,16,18-hexaen-2-one

C32H31N5O4 (549.2375926)

n-[(2s,3r,4s,5r,6s)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

n-[(2s,3r,4s,5r,6s)-2-{5-ethenyl-15-hydroxy-3,17-dimethoxy-8-oxo-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-3,5-dihydroxy-6-methyloxan-4-yl]-n-methylacetamide

C30H31NO9 (549.1998716)

2-ethoxy-3-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n,n-dimethyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxamide

C31H35NO8 (549.236255)

(10s,11r,12r,13s,14r)-14-(3,4-dimethoxyphenyl)-10,11-dihydroxy-8-methoxy-n,n-dimethyl-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxamide

C30H31NO9 (549.1998716)

(2s,3r,4r,5s,6r)-2-ethoxy-3-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-n,n-dimethyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxamide

C31H35NO8 (549.236255)

2-amino-n-{[(1s,2s,10r,13r)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}ethanimidic acid

2-amino-n-{[(1s,2s,10r,13r)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}ethanimidic acid

C28H31N5O7 (549.2223376)

{12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl}methyl propanoate

C29H31N3O8 (549.2111046)