Exact Mass: 542.3652
Exact Mass Matches: 542.3652
Found 265 metabolites which its exact mass value is equals to given mass value 542.3652
,
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
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
(S)-2-((2S,3R,4Z)-1-((S)-2-benzamido-6-guanidinohexanoyl)-4-ethylidene-3-methylpyrrolidine-2-carboxamido)-4-methylpentanoic acid|(S)-2-((2S,3R,Z)-1-((S)-2-benzamido-6-guanidinohexanoyl)-4-ethylidene-3-methylpyrrolidine-2-carboxamido)-4-methylpentanoic acid|lucentamycin A
(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
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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
(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
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
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
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
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
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
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
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
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"}