Exact Mass: 846.3885101999999
Exact Mass Matches: 846.3885101999999
Found 44 metabolites which its exact mass value is equals to given mass value 846.3885101999999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sucrose acetate isobutyrate
Clouding agent, stabiliser and specific gravity control agent for beverages, especially fruit drinks Sucrose acetoisobutyrate (SAIB) is a emulsifier and has E Number E444. Clouding agent, stabiliser and specific gravity control agent for beverages, especies fruit drinks
PGP(i-12:0/PGF1alpha)
PGP(i-12:0/PGF1alpha) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(i-12:0/PGF1alpha), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of Prostaglandin F1alpha at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).
PGP(PGF1alpha/i-12:0)
PGP(PGF1alpha/i-12:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(PGF1alpha/i-12:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of 10-methylundecanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).
3beta-(2-O-sulfo-alpha-L-arabinopyranosyl)-27-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside
C41H66O16S (846.4071356000001)
3-O-[alpha-L-arabinofuranosyl(1->3)]-6-O-sulfonyl-beta-D-glucopyranosyl pseudojujubogenin|bacopaside-XI
C41H66O16S (846.4071356000001)
2alpha,3beta,16beta-trihydroxy-5alpha-pregn-20(21)-ene-carboxylic acid gamma-lactone 3-O-{O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside}
SAIB 100S
Euphorbiaproliferin B, (rel)-
A natural product found in Euphorbia prolifera.
[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoate
PIP(29:1)
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[(2r,3r,4s,5r,6r)-4-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl]methoxysulfonic acid
C41H66O16S (846.4071356000001)
2,3-dihydroxy-23,24,25,26,27-pentanorcholest-20-en-22,16-olide; (2α,3β,16β)-form,3-o-[beta-d-glucopyranosyl-(1→2)-beta-d-glucopyranosyl-(1→4)-beta-d-galactopyranoside]
{"Ingredient_id": "HBIN004040","Ingredient_name": "2,3-dihydroxy-23,24,25,26,27-pentanorcholest-20-en-22,16-olide; (2\u03b1,3\u03b2,16\u03b2)-form,3-o-[beta-d-glucopyranosyl-(1\u21922)-beta-d-glucopyranosyl-(1\u21924)-beta-d-galactopyranoside]","Alias": "NA","Ingredient_formula": "C40H62O19","Ingredient_Smile": "NA","Ingredient_weight": "846.91","OB_score": "NA","CAS_id": "186901-40-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8940","PubChem_id": "NA","DrugBank_id": "NA"}
bacopaside iii
C41H66O16S (846.4071356000001)
{"Ingredient_id": "HBIN017496","Ingredient_name": "bacopaside iii","Alias": "NA","Ingredient_formula": "C41H66O16S","Ingredient_Smile": "CC(=CC1COC23CC4(CO2)C(C3C1(C)O)CCC5C4(CCC6C5(CCC(C6(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)COS(=O)(=O)O)O)O)O)O)C)C)C","Ingredient_weight": "847 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2088","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15922618","DrugBank_id": "NA"}
[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s)-3,5-dihydroxy-2-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid
C41H66O16S (846.4071356000001)
2-[(1-hydroxyethylidene)amino]-3-{[(7e,12e,16e,22e,24e,26z)-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,32,34-tetraoxo-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaen-31-yl]sulfanyl}propanoic acid
C45H54N2O12S (846.3397284000001)
(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl)methoxysulfonic acid
C41H66O16S (846.4071356000001)
(1r,2s,4s,8s,9s,12s,13s,15r,16r,18s)-16-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-hydroxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one
3-[16-amino-3,6,9,12,15,27-hexahydroxy-10-(hydroxymethyl)-13-(2-methylpropyl)-4-octyl-19,21-dioxo-20-oxa-24,25-dithia-2,5,8,11,14,28-hexaazabicyclo[20.4.2]octacosa-2,5,8,11,14,27-hexaen-7-yl]-2-hydroxypropanimidic acid
[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s)-3,5-dihydroxy-2-{[(1s,2r,5r,7s,10r,11r,14s,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid
C41H66O16S (846.4071356000001)
{6-[(3,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxysulfonic acid
C41H66O16S (846.4071356000001)
3-[(1r,4s,7s,10s,13s,16s,22r)-16-amino-3,6,9,12,15,27-hexahydroxy-10-(hydroxymethyl)-13-(2-methylpropyl)-4-octyl-19,21-dioxo-20-oxa-24,25-dithia-2,5,8,11,14,28-hexaazabicyclo[20.4.2]octacosa-2,5,8,11,14,27-hexaen-7-yl]-2-hydroxypropanimidic acid
(2r)-2-[(1-hydroxyethylidene)amino]-3-{[(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e,24z,26z)-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,32,34-tetraoxo-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaen-31-yl]sulfanyl}propanoic acid
C45H54N2O12S (846.3397284000001)
[(3r,4r,5r,6s)-6-{[(1s,2s,5r,6s,9s,10s,13s,16s,18r)-5,10-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-16-yl]oxy}-4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acid
C41H66O16S (846.4071356000001)