Exact Mass: 228.0998
Exact Mass Matches: 228.0998
Found 101 metabolites which its exact mass value is equals to given mass value 228.0998,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 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
