Exact Mass: 552.3665
Exact Mass Matches: 552.3665
Found 288 metabolites which its exact mass value is equals to given mass value 552.3665
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pandamine
Elastin
Furohyperforin
Constituent of Hypericum perforatum (St. Johns Wort). Furohyperforin is found in tea, alcoholic beverages, and herbs and spices. Furohyperforin is found in alcoholic beverages. Furohyperforin is a constituent of Hypericum perforatum (St. Johns Wort).
Oxepahyperforin
Oxepahyperforin is found in alcoholic beverages. Oxepahyperforin is a constituent of Hypericum perforatum (St. Johns Wort)
Cyclopassifloic acid E
Cyclopassifloic acid E is found in fruits. Cyclopassifloic acid E is a constituent of Passiflora edulis (passion fruit) Constituent of Passiflora edulis (passion fruit). Cyclopassifloic acid E is found in fruits.
8-Hydroxyhyperforin 8,1-hemiacetal
8-Hydroxyhyperforin 8,1-hemiacetal is found in alcoholic beverages. 8-Hydroxyhyperforin 8,1-hemiacetal is a constituent of Hypericum perforatum (St. Johns Wort).
Lithocholate 3-O-glucuronide
Analysis of sequential bile samples by thin-layer chromatography (TLC) demonstrated that lithocholic acid glucuronide was present in bile throughout the course of the experiments and that its secretion rate paralleled that of total isotope secretion. Initial confirmation of the identity of this metabolite was obtained by the recovery of labeled lithocholic acid after beta-glucuronidase hydrolysis of bile samples. Glucuronates; Lithocholic Acid. Analysis of sequential bile samples by thin-layer chromatography (TLC) demonstrated that lithocholic acid glucuronide was present in bile throughout the course of the experiments and that its secretion rate paralleled that of total isotope secretion. Initial confirmation of the identity of this metabolite was obtained by the recovery of labeled lithocholic acid after beta-glucuronidase hydrolysis of bile samples. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Nonadecylresorcinol glucuronide
Nonadecylresorcinol glucuronide is an alkylresorcinol metabolite. It is a potential plasma biomarker of whole grain intake (PMID: 25527657).
Elastin
Gilteritinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Lithocholic acid glucuronide
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Rehmannic acid
DG(8:0/PGE2/0:0)
DG(8:0/PGE2/0:0) 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(8:0/PGE2/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(PGE2/8:0/0:0)
DG(PGE2/8:0/0:0) 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(PGE2/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/PGE2)
DG(8:0/0:0/PGE2) 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(PGE2/0:0/8:0)
DG(PGE2/0:0/8:0) 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.
DG(8:0/PGD2/0:0)
DG(8:0/PGD2/0:0) 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(8:0/PGD2/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(PGD2/8:0/0:0)
DG(PGD2/8:0/0:0) 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(PGD2/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/PGD2)
DG(8:0/0:0/PGD2) 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(PGD2/0:0/8:0)
DG(PGD2/0:0/8:0) 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.
DG(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0)
DG(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/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(8:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0/0:0)
DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0/0:0) 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))
DG(8:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/8:0)
DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/8:0) 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.
3,9-epoxy-20alphaF-(2-ethyl-4-methyl-pyrrole-3-carbonyloxy)-25-methyl-(5beta)-14beta,13-[1]oxa[4]azapentano-18-nor-pregna-7,16-diene-3beta,11alpha-diol|Batrachotoxinin A-20-(2-ethyl-4-methyl-pyrrol-3-carboxylat) od. Homobatrachotoxin od. Isobatrachotoxin|homobatrachotoxin|O20-(2-ethyl-4-methyl-pyrrole-3-carbonyl)-batrachotoxinin-A
(19E,19E)-18,18-dideoxy-22,22-dinor-toxiferin-I|(19E,19E)-18,18-Didesoxy-22,22-dinor-toxiferin-I|Bisnordihydrotoxiferine|bisnordihydroxiferin|nordihydrotoxiferine
3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labd-7-ene-2-O-beta-fucopyranoside
(8E,12E,14E)-7-acetoxy-3,6,17,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide
6-Benzoyl-(2alpha,3beta,5alpha,6beta,25S)-Spirostane-2,3,6-triol
20S,23R,24R-23-chloro-20,24-epoxy-dammarane-3alpha,24,25-triol 3-acetate
(8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoxytricosa-8,12,14-trien-11-olide|(8E,12E,14E)-7-acetoxy-6,10,12,16,20-pentamethyl-3,6,16,21-tetrahydroxy-18,19-epoxytricosa-8,12,14-trien-11-olide|epi-(8E,12E,14E)-7-acetoxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19epoxytricosa-8,12,14-trien-11-olide
2-(beta-D-glucopyranosyloxy)-3,16-dihydroxy-4,4,9,14-tetramethyl-19-norpregn-5-en-20-one
(22beta)-22-{[3-methyl-1-oxobut-2-enyl]oxy}-3-oxoolean-12-en-28-oic acid|lantadane A
(1S,2R,3S,4R,5R,6S,8E,11S,12R,13S,14S)-3-acetoxy-2,12-dibutanoyloxycladiell-8-ene-4,11-diol
(22beta)-22-{[(2Z)-2-methyl-1-oxobut-2-enyl]oxy}-3-oxoolean-12-en-28-oic acid|lantadane A
His Ile Lys Arg
9SK62WCU1W
Rehmannic acid is a natural product found in Lantana camara, Combretum sundaicum, and other organisms with data available.
Furohyperforin
(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
His Ile Arg Lys
His Lys Ile Arg
His Lys Leu Arg
His Lys Arg Ile
His Lys Arg Leu
His Leu Lys Arg
His Leu Arg Lys
His Arg Ile Lys
His Arg Lys Ile
His Arg Lys Leu
His Arg Leu Lys
Ile His Lys Arg
Ile His Arg Lys
Ile Lys His Arg
Ile Lys Arg His
Ile Arg His Lys
Ile Arg Lys His
Lys His Ile Arg
Lys His Leu Arg
Lys His Arg Ile
Lys His Arg Leu
Lys Ile His Arg
Lys Ile Arg His
Lys Leu His Arg
Lys Leu Arg His
Lys Arg His Ile
Lys Arg His Leu
Lys Arg Ile His
Lys Arg Leu His
Leu His Lys Arg
Leu His Arg Lys
Leu Lys His Arg
Leu Lys Arg His
Leu Arg His Lys
Leu Arg Lys His
Arg His Ile Lys
Arg His Lys Ile
Arg His Lys Leu
Arg His Leu Lys
Arg Ile His Lys
Arg Ile Lys His
Arg Lys His Ile
Arg Lys His Leu
Arg Lys Ile His
Arg Lys Leu His
Arg Leu His Lys
Arg Leu Lys His
8-Hydroxyhyperforin 8,1-hemiacetal
Oxepahyperforin
Cyclopassifloic acid E
ST 24:1;O3;GlcA
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Gilteritinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
8-Hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione
diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium
1-O-Octadecyl-2-O-acetyl-sn-glycero-3-phosphocholine
2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Lithocholic acid glucuronide
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
O-(1-O-Octadecyl-2-O-acetyl-L-glycero-3-phospho)choline
1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
[O-(1-O-Hexadecyl-2-O-butanoyl-L-glycero-3-phospho)choline]anion
1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
[O-(1-O-Hexadecanoyl-2-O-propanoyl-L-glycero-3-phospho)choline]anion
2-[(2-Butanoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2,3-dihydroxypropyl [3-[(Z)-docos-13-enoxy]-2-hydroxypropyl] hydrogen phosphate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-henicos-11-enoate
[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-hydroxypropyl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
2-[(2-Decanoyloxy-3-nonanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-icosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(2-Hexadecanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(3-hydroxy-2-icosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(3-octanoyloxy-2-undecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-hydroxypropyl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-hydroxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[1-carboxy-3-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(E)-undec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
[1-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-hydroxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[1-carboxy-3-[2-[(4E,7E)-deca-4,7-dienoyl]oxy-3-[(E)-undec-4-enoyl]oxypropoxy]propyl]-trimethylazanium
2-[(3-Acetyloxy-2-heptadecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Hexanoyloxy-3-tetradecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-propanoyloxypropoxy]propyl]-trimethylazanium
2-[Hydroxy-(3-pentanoyloxy-2-tetradecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(2-Dodecanoyloxy-3-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Hexanoyloxy-2-tridecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Butanoyloxy-2-pentadecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-pentanoyloxypropoxy]propyl]-trimethylazanium
2-[(2-Dodecanoyloxy-3-octoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(3-pentadecoxy-2-pentanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(2-Heptanoyloxy-3-tridecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Heptadecoxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(3-nonoxy-2-undecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-nonanoyloxy-3-undecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(3-Dodecoxy-2-octanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Decanoyloxy-3-decoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
lithocholic acid 24-O-(beta-D-glucuronide)
A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of lithodeoxycholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
lithocholic acid 3-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is lithocholic acid having a single beta-D-glucuronic acid residue attached at position 3.
(1r,3s,4r,5r,7s)-4-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-4-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
3,9,15-trimethyl-6,12-bis(2-methylpropyl)-18-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol
(1s,4r)-4-hydroxy-1-[(2r,5r)-5-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2s,5r)-5-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl acetate
(1s,3s,4s,6s,7s,8r,11s,12s,14s,15r,16r)-4,6,14-trihydroxy-7,12,16-trimethyl-15-[(2s,5s)-2,5,6-trihydroxy-5-isopropylhexan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid
5-(acetyloxy)-14-(butanoyloxy)-6,11-dihydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.0²,⁷]pentadec-9-en-4-yl butanoate
(1s,3s,8r,9r,10s)-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.0¹,⁵]dodec-5-ene-7,12-dione
(1s,3ar,3br,5ar,7r,9ar,9br,11ar)-1-[(2s,4r,5s)-4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate
2-(dimethylamino)-3-phenyl-n-[5,8,11-trihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,12,15-pentaen-4-yl]propanimidic acid
2-{7-[3-(2,3-dihydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl}-7,10-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl acetate
(28e)-28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene
4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-ene-7,12-dione
6-{3a,7-dihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-hydroxy-2-methylheptan-2-yl benzoate
8-hydroxyhyperforin-8,1-hemiacetal
{"Ingredient_id": "HBIN013780","Ingredient_name": "8-hydroxyhyperforin-8,1-hemiacetal","Alias": "NA","Ingredient_formula": "C35H52O5","Ingredient_Smile": "CC(C)C(=O)C12C(=O)C3(C(=O)C(C1(O3)O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C","Ingredient_weight": "552.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10218","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129316606","DrugBank_id": "NA"}