Exact Mass: 228.0998
Exact Mass Matches: 228.0998
Found 103 metabolites which its exact mass value is equals to given mass value 228.0998,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Propyl propane thiosulfonate
1,3-Dimethyl 2-(3-oxocyclohexyl)propanedioic acid
Propyl propane thiosulfonate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Glycerol 1,2-dimethacrylate
1-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propan-2-yl 2-methylprop-2-enoate
Loganetin
Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1,6-dihydroxy-7-methyl-, methyl ester, (1R,4aS,6S,7R,7aS)-
Loganetin is an iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. It has a role as a plant metabolite and an antibacterial agent. It is a methyl ester, an iridoid monoterpenoid, a lactol, a cyclopentapyran, an enoate ester and a secondary alcohol. Loganetin is a natural product found in Scaevola floribunda, Calycophyllum spruceanum, and other organisms with data available. An iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. Loganetin is a non-toxic natural product that may be applied in the antibacterial agent development for treating multidrug-resistant Gram negative infections.
Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
(3S,4R,5R,7S,8S,9S)-8,11-epoxy-7-hydroxy-3-methoxydihyronepetalactone|jatamanin I
(3S,4R,5R,7S,8S,9S)-8,11-epoxy-7-hydroxy-3-methoxydihyronepetalactone|jatamanin I
(1R,4S,4aS,7aS)-4,7-Dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-methoxygardendiol
(1R,4S,4aS,7aS)-4,7-Dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-methoxygardendiol
rel-(2S,3R)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
rel-(2S,3R)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
(2S)-4-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)-2-hydroxypent-3-anoic acid|dasycarpus acid
(2S)-4-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)-2-hydroxypent-3-anoic acid|dasycarpus acid
dihydro-3-hydroxy-4-(hydroxymethyl)-3-(1-hydroxy-hexa-2,4-dien-1-yl)-2(3H)-furanone
dihydro-3-hydroxy-4-(hydroxymethyl)-3-(1-hydroxy-hexa-2,4-dien-1-yl)-2(3H)-furanone
1-beta-Hydroxydihydrocornin aglycone/ 1alpha-Hydroxydihydrocornin aglycone
1-beta-Hydroxydihydrocornin aglycone/ 1alpha-Hydroxydihydrocornin aglycone
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one
NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one
NCGC00179979-02!6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000845037]
NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000845037]
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based: Match]
NCGC00384874-01!6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based: Match]
Methyl 1-(1-Methoxy-1,3-dioxopropan-2-yl)cyclopentane-1-carboxyl
Methyl 1-(1-Methoxy-1,3-dioxopropan-2-yl)cyclopentane-1-carboxyl
ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
(3aR,5S,6S,6aR)-6-[[(3aR,5S,6S,6aR)-6-hydroxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-yl]-hydroxymethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-carbaldehyde
(3aR,5S,6S,6aR)-6-[[(3aR,5S,6S,6aR)-6-hydroxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-yl]-hydroxymethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-carbaldehyde
3-(2,4-dimethyl-6-oxo-3H-pyran-2-yl)-2-hydroxy-2-methylpropanoic acid
3-(2,4-dimethyl-6-oxo-3H-pyran-2-yl)-2-hydroxy-2-methylpropanoic acid
6-[(1r,3r)-1,3-dihydroxypentyl]-4-methoxypyran-2-one
6-[(1r,3r)-1,3-dihydroxypentyl]-4-methoxypyran-2-one
5-[(1r,2s)-1,2-dihydroxybutyl]-4-methoxy-6-methylpyran-2-one
5-[(1r,2s)-1,2-dihydroxybutyl]-4-methoxy-6-methylpyran-2-one
4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
(2s)-3-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
(2s)-3-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
NA
{"Ingredient_id": "HBIN003123","Ingredient_name": "(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
NA
{"Ingredient_id": "HBIN003135","Ingredient_name": "(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2s,5r,8s)-1-[(1s,2r)-1,2-dihydroxypropyl]-8-hydroxy-2-methyl-6-oxabicyclo[3.2.1]oct-3-en-7-one
(1r,2s,5r,8s)-1-[(1s,2r)-1,2-dihydroxypropyl]-8-hydroxy-2-methyl-6-oxabicyclo[3.2.1]oct-3-en-7-one
3-hydroxy-3-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-yl]-4-(hydroxymethyl)oxolan-2-one
3-hydroxy-3-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-yl]-4-(hydroxymethyl)oxolan-2-one
(5z)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2r)-2-hydroxypropyl]furan-2-one
(5z)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2r)-2-hydroxypropyl]furan-2-one
methyl 1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl 1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
1-(1,2-dihydroxypropyl)-8-hydroxy-2-methyl-6-oxabicyclo[3.2.1]oct-3-en-7-one
1-(1,2-dihydroxypropyl)-8-hydroxy-2-methyl-6-oxabicyclo[3.2.1]oct-3-en-7-one
5-[(2s,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
5-[(2s,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(1s,3r,9r,10r)-9-methoxy-3-methyl-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione
(1s,3r,9r,10r)-9-methoxy-3-methyl-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione
(2r,3s)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
(2r,3s)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
methyl (2r,3r,6r,7r)-2,6,7-trimethyl-4-oxo-1,5-dioxaspiro[2.5]octane-6-carboxylate
methyl (2r,3r,6r,7r)-2,6,7-trimethyl-4-oxo-1,5-dioxaspiro[2.5]octane-6-carboxylate
5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undecan-10-one
5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undecan-10-one
methyl 1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl 1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(4r,5s,6r)-4,5,6-trihydroxy-2-(3-hydroxy-3-methylbut-1-en-1-yl)cyclohex-2-en-1-one
(4r,5s,6r)-4,5,6-trihydroxy-2-(3-hydroxy-3-methylbut-1-en-1-yl)cyclohex-2-en-1-one
5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(1s,3s,5r,8r,9r,11r)-5-methoxy-3-methyl-2,6,12-trioxatetracyclo[6.4.0.0³,¹¹.0⁵,⁹]dodecan-11-ol
(1s,3s,5r,8r,9r,11r)-5-methoxy-3-methyl-2,6,12-trioxatetracyclo[6.4.0.0³,¹¹.0⁵,⁹]dodecan-11-ol
(5z)-5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2r)-2-hydroxypropyl]furan-2-one
(5z)-5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2r)-2-hydroxypropyl]furan-2-one
(5e)-5-[(2r,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(5e)-5-[(2r,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
5-(1,2-dihydroxybutyl)-4-methoxy-6-methylpyran-2-one
5-(1,2-dihydroxybutyl)-4-methoxy-6-methylpyran-2-one
methyl (1r,4as,5r,7s,7ar)-1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1r,4as,5r,7s,7ar)-1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(5e)-5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(5e)-5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(2s,3as,5's,6as)-5'-(2-hydroxyethyl)-tetrahydrospiro[furo[3,2-b]furan-2,2'-oxolan]-5-one
(2s,3as,5's,6as)-5'-(2-hydroxyethyl)-tetrahydrospiro[furo[3,2-b]furan-2,2'-oxolan]-5-one
(4r,5r,6s,7s,10r)-4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
(4r,5r,6s,7s,10r)-4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
methyl (1r,4as,6s,7r,7ar)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1r,4as,6s,7r,7ar)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (4s,4ar,6s,7r,7ar)-6-hydroxy-7-methyl-1-oxo-hexahydro-3h-cyclopenta[c]pyran-4-carboxylate
methyl (4s,4ar,6s,7r,7ar)-6-hydroxy-7-methyl-1-oxo-hexahydro-3h-cyclopenta[c]pyran-4-carboxylate
(1r,2r,5s,6s,8s,11r)-5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undecan-10-one
(1r,2r,5s,6s,8s,11r)-5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undecan-10-one
5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(1r,2s,3s)-2,3-dihydroxy-2-isopropyl-3-methyl-5-methylidene-4-oxocyclopentane-1-carboxylic acid
(1r,2s,3s)-2,3-dihydroxy-2-isopropyl-3-methyl-5-methylidene-4-oxocyclopentane-1-carboxylic acid
1-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)propane-1,3-diol
1-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)propane-1,3-diol
(1r,2r)-1-(3,4-dimethoxyphenyl)propane-1,2,3-triol
(1r,2r)-1-(3,4-dimethoxyphenyl)propane-1,2,3-triol
(5e)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(5e)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
methyl (1r,4as,6s,7r,7as)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1r,4as,6s,7r,7as)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1s,4as,5r,7s,7ar)-1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1s,4as,5r,7s,7ar)-1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(1s,2s)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
(1s,2s)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
5-[(2r,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
5-[(2r,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(5e)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(5e)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(4s,5r,6s)-4,5,6-trihydroxy-3-[(1s)-1-hydroxy-3-methylbut-2-en-1-yl]cyclohex-2-en-1-one
(4s,5r,6s)-4,5,6-trihydroxy-3-[(1s)-1-hydroxy-3-methylbut-2-en-1-yl]cyclohex-2-en-1-one
5'-(2-hydroxyethyl)-tetrahydrospiro[furo[3,2-b]furan-2,2'-oxolan]-5-one
5'-(2-hydroxyethyl)-tetrahydrospiro[furo[3,2-b]furan-2,2'-oxolan]-5-one
methyl (1s,4as,6s,7r,7as)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (1s,4as,6s,7r,7as)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
