Exact Mass: 542.371953
Exact Mass Matches: 542.371953
Found 220 metabolites which its exact mass value is equals to given mass value 542.371953
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid
3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid is a constituent of Eucalyptus globulus (Tasmanian blue gum) Constituent of Eucalyptus globulus (Tasmanian blue gum).
Milbemycin A4
DG(10:0/18:1(12Z)-2OH(9,10)/0:0)
DG(10:0/18:1(12Z)-2OH(9,10)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/18:1(12Z)-2OH(9,10)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-2OH(9,10)/10:0/0:0)
DG(18:1(12Z)-2OH(9,10)/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(12Z)-2OH(9,10)/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/18:1(12Z)-2OH(9,10))
DG(10:0/0:0/18:1(12Z)-2OH(9,10)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-2OH(9,10)/0:0/10:0)
DG(18:1(12Z)-2OH(9,10)/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-, (6R,25R)-
(3alpha,4alpha,20alpha)-3-(acetyloxy)olean-12-ene-23,29-dioic acid 29-methyl ester|aceriphyllic acid J
(24S)-3alpha-acetoxy-16,24-anhydro-16,24,25-trihydroxy-2,11,22-trioxocucurbit-5-ene
2-Me ether,3-Ac,Me ester-(2alpha,3beta)-2,3-Dihydroxy-12-oleanen-28-oic acid
bufalin 3-suberate|bufalin-3-hemisuberate|Bufalin-3-hydrogen suberate|Korksaeure-mono-(3-bufalyl)-ester
12alpha-(3-acetoxybutanoyloxy)-20,24-dimethyl-24-oxoscalara-16-en-25-al
Malonyl ester-3-Hydroxy-12-ursen-28-oic acid|malonyl ursolic acid hemiester
3,11-Di-Ac-(8beta,9alpha,11alpha)-12-Oleanene-3,9,11-triol
16-acetoxy-22alpha-hydroxy-29-nor-3,4-seco-24-methylcycloart-4,24(24a)-dien-23-on-3-oic acid|neomacroin
16-acetoxy-6,22alpha-dihydroxy-29-nor-24-methylcycloart-1, 24(24a)-dien-3,23-dion-3,4-lactone|6-hydroxyneomacrolactone
Oleanane-3,16-diol, 13,28-epoxy-, diacetate, (3.beta.,16.alpha.)-
(4aS)-5t-Hydroxy-10c-acetoxy-2,2,6at,6bc,9,9,12ac-heptamethyl-4ar-hydroxymethyl-(8atH,12btH,14bcH)-Delta14-eicosahydro-picen|(4aS)-5t-hydroxy-10c-acetoxy-2,2,6at,6bc,9,9,12ac-heptamethyl-4ar-hydroxymethyl-(8atH,12btH,14bcH)-Delta14-eicosahydro-picene|3,28-Di-O-acetyl-primulagenin A|3beta,28-Di-O-acetyl-primulagenin A|3beta,28-diacetoxy-16alpha-hydroxy-12-oleanene|3beta,28-diacetoxyprimulagenin A
3alpha-acetoxyolean-12-ene-27,28-dioic acid 28-methyl ester
3-[(3-OH-myristoyl)oxy]decanoyl glutamine from Cohen et al Nature 549 48 53 2017
Milbemycin A4
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Ile Arg Arg Val
Ile Arg Val Arg
Ile Val Arg Arg
Leu Arg Arg Val
Leu Arg Val Arg
Leu Val Arg Arg
Arg Ile Arg Val
Arg Ile Val Arg
Arg Leu Arg Val
Arg Leu Val Arg
Arg Arg Ile Val
Arg Arg Leu Val
Arg Arg Val Ile
Arg Arg Val Leu
Arg Val Ile Arg
Arg Val Leu Arg
Arg Val Arg Ile
Arg Val Arg Leu
Val Ile Arg Arg
Val Leu Arg Arg
Val Arg Ile Arg
Val Arg Leu Arg
Val Arg Arg Ile
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3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid
(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane
C33H54N2O4 (542.4083363999999)
(10E,14E,16E)-6-ethyl-21,24-dihydroxy-5,11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2-oxane]-2-one
2-[hydroxy-[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
N-lauroyl-sphingosine-1,3-cyclophosphate(1-)
C30H57NO5P- (542.3974142000001)
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
1-cyclohexyl-3-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
C30H46N4O5 (542.3468025999999)
1-cyclohexyl-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
1-cyclohexyl-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
3-[(3-OH-myristoyl)oxy]decanoyl glutamine from Cohen et al Nature 549 48 53 2017
(2-hydroxy-3-phosphonooxypropyl) (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-hydroxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
(1-hydroxy-3-nonanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
2-[hydroxy-[(2R)-2-hydroxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[3-hydroxy-2-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropyl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[3-hydroxy-2-[(E)-pentadec-9-enoyl]oxypropyl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-carboxy-3-[2-decanoyloxy-3-[(E)-dec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
2-[hydroxy-[3-hydroxy-2-[(4Z,7Z,10Z,13Z,16Z)-icosa-4,7,10,13,16-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[3-hydroxy-2-[(9E,12E)-pentadeca-9,12-dienoyl]oxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[1-carboxy-3-[3-decanoyloxy-2-[(E)-dec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
[3-[3-acetyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
[1-carboxy-3-[3-heptanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[2-[(Z)-pentadec-9-enoyl]oxy-3-pentanoyloxypropoxy]propyl]-trimethylazanium
[1-carboxy-3-[3-hexanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]propyl]-trimethylazanium
2-[[2-acetyloxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[3-[3-butanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
[1-carboxy-3-[2-[(Z)-heptadec-9-enoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium
2-[carboxy-[2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium
novapikromycin(1+)
An organic cation that is the conjugate acid of novapikromycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
ethyl 6-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoate
(1s,3s,7s,8s,9r,11s,12s,14s,15r,16r)-15-[(2s,3r,6r)-3,7-dihydroxy-6-methyl-5-methylidene-4-oxoheptan-2-yl]-9-hydroxy-7,12,16-trimethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-4-en-14-yl acetate
(2e)-n-[(3br,6r,7s,9ar,9bs,11as)-6,8-bis(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]-2-methylbut-2-enimidic acid
(1r,4z,6e,9s,11s,12r,13r,14z,16z,19e,21s,23s,24s)-11-hydroxy-24-(hydroxymethyl)-23-[(2z)-5-hydroxypent-2-en-1-yl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.1⁹,¹³]hexacosa-4,6,14,16,19-pentaen-3-one
(1r,5s,7r,9r,11s)-9-benzoyl-11-[(2e,6e)-3,8-dimethylnona-2,6-dien-1-yl]-4,4,8,8-tetramethyltetracyclo[7.3.1.1⁷,¹¹.0¹,⁵]tetradecane-10,12,13-trione
8-acetyl-1-ethyl-7-formyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl 3-(acetyloxy)butanoate
(2e,10e,12e,16z,18e)-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15,17-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
1-[3-({2,4-dihydroxy-6-[(12s)-12-hydroxyheptadecyl]phenyl}methyl)-2,4-dihydroxy-5-methylphenyl]ethanone
methyl (2r)-2-[(1s,2s,3ar,5as,7r,9as,11as)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoate
(1s,4as,4br,6s,6as,7r,10as,10br,12as)-8-acetyl-1-ethyl-7-formyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl (3s)-3-(acetyloxy)butanoate
10-(acetyloxy)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-2-yl acetate
(4as,6ar,6br,8ar,10r,12ar,12br,14bs)-10-(acetyloxy)-4a-(methoxycarbonyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-6a-carboxylic acid
29-hydroxyDehydropachymic acid
{"Ingredient_id": "HBIN005093","Ingredient_name": "29-hydroxyDehydropachymic acid","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)CO)OC(=O)C)C)C)C)O)C(=O)O","Ingredient_weight": "542.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35873","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137355885","DrugBank_id": "NA"}
3-hydroxy-12-oleanene-28,30-dioic acid; 3β-form,3-ac,30-me ester
{"Ingredient_id": "HBIN008613","Ingredient_name": "3-hydroxy-12-oleanene-28,30-dioic acid; 3\u03b2-form,3-ac,30-me ester","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "NA","Ingredient_weight": "542.75","OB_score": "NA","CAS_id": "25488-42-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8103","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-12-ursen-28-oic acid; 3β-form,malonyl ester
{"Ingredient_id": "HBIN008615","Ingredient_name": "3-hydroxy-12-ursen-28-oic acid; 3\u03b2-form,malonyl ester","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "NA","Ingredient_weight": "542.75","OB_score": "NA","CAS_id": "143070-05-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8102","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxydehydropachymic acid
{"Ingredient_id": "HBIN012428","Ingredient_name": "6-hydroxydehydropachymic acid","Alias": "NA","Ingredient_formula": "C33H50O6","Ingredient_Smile": "NA","Ingredient_weight": "542.75","OB_score": "NA","CAS_id": "176390-67-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7546","PubChem_id": "NA","DrugBank_id": "NA"}
bisbakuchiols B
{"Ingredient_id": "HBIN018604","Ingredient_name": "bisbakuchiols B","Alias": "NA","Ingredient_formula": "C36H46O4","Ingredient_Smile": "CC(=CCCC(C)(C=C)C=CC1=CC2=C(C=C1)OC(C(O2)C3=CC(=C(C=C3)O)O)C(C)(CCC=C(C)C)C=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37905","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}