Exact Mass: 524.1966
Exact Mass Matches: 524.1966
Found 219 metabolites which its exact mass value is equals to given mass value 524.1966
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Ligustroside
Ligustroside is found in fruits. Ligustroside is found in olives (Olea europaea Found in olives (Olea europaea)
3-((2'-(Benzoylaminosulfonyl)biphenyl-4-yl)methyl)-2-ethyl-5,7-dimethyl-3H-imidazo(4,5-b)pyridine
[4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
12-Ketone,3-O-beta-D-glucopyranoside-Gibberellin A26
erythro-1-(4-hydroxy-3-methoxyphenyl)-2-{2-hydroxy-4-[(Z)-3-glucosylprop-1-enyl]phenoxy}propane-1,3-diol|semitortoside A|semitortoside B|threo-1-(4-hydroxy-3-methoxyphenyl)-2-{2-hydroxy-4-[(Z)-3-glucosylprop-1-enyl]phenoxy}propane-1,3-diol
(alphaS,betaS)-alpha-[(methoxycarbonyl)amino]-beta-hydroxy-4,6-dimethyl-9-oxo-3-beta-D-ribofuranosyl-4,9-dihydro-3H-imidazo[1,2-alpha]purine-7-butanoic acid methyl ester|(alphaS,betaS)-beta-hydroxy-alpha-[(methoxycarbonyl)amino]-4,6-dimethyl-9-oxo-3-beta-D-ribofuranosyl-4,9-dihydro-3H-imidazo[1,2-a]purine-7-butanoic acid methyl ester|beta-hydroxywybutosine
9alpha-hydroxygelsemiol 3-O-(4-trans-p-coumaroyl)-beta-D-glucopyranoside|verbenabraside B
6-O-trans-p-methoxycinnamoyl-5,7-bisdeoxycynanchoside
(7S,8S)-3-methoxyl-3-O-beta-D-glucopyrannosyl-4:8,5:7-diepoxyneolignan-4,9-diol
2-(4-hydroxyphenyl)ethyl 6-O-{[(2R*,3R*,4R*)-3-formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-2H-pyran-4-yl]acetyl}-beta-D-glucopyranoside
gelsemiol 3-O-(4-trans-caffeoyl)-beta-D-glucopyranoside|verbenabraside A
(-)-(7S,8R,7E)-4,7,9,3,9-pentahydroxy-3-methoxy-8-4-oxyneolign-7-ene-3-O-beta-D-glucopyranoside
(1S,2S)-1-phenylpropane-1,2-diol 2-O-beta-D-glucopyranoside pentaacetate
Ligstroside
Ligstroside is a secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 4-hydroxyphenethyl ester (the 2S,3E,4S stereoisomer). An important phenolic compound present in olive cultivars. It has a role as a plant metabolite and an antineoplastic agent. It is a secoiridoid glycoside, a methyl ester, a diester, a member of pyrans, a member of phenols and a beta-D-glucoside. Ligstroside is a natural product found in Jasminum officinale, Osmanthus heterophyllus, and other organisms with data available. A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 4-hydroxyphenethyl ester (the 2S,3E,4S stereoisomer). An important phenolic compound present in olive cultivars.
ligstroside
[4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate_minor
[4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate_major
[4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate_98.9\\%
Cys Phe Gln Gln
Cys Gln Phe Gln
Cys Gln Gln Phe
Asp Met Pro Tyr
Asp Met Tyr Pro
Asp Asn Asn Tyr
Asp Asn Tyr Asn
Asp Pro Met Tyr
Asp Pro Tyr Met
Asp Tyr Met Pro
Asp Tyr Asn Asn
Asp Tyr Pro Met
Phe Cys Gln Gln
Phe Met Asn Asn
Phe Asn Met Asn
Phe Asn Asn Met
Phe Gln Cys Gln
Phe Gln Gln Cys
Met Asp Pro Tyr
Met Asp Tyr Pro
Met Phe Asn Asn
Met Asn Phe Asn
Met Asn Asn Phe
Met Pro Asp Tyr
Met Pro Tyr Asp
Met Tyr Asp Pro
Met Tyr Pro Asp
Asn Asp Asn Tyr
Asn Asp Tyr Asn
Asn Phe Met Asn
Asn Phe Asn Met
Asn Met Phe Asn
Asn Met Asn Phe
Asn Asn Asp Tyr
Asn Asn Phe Met
Asn Asn Met Phe
Asn Asn Tyr Asp
Asn Tyr Asp Asn
Asn Tyr Asn Asp
Pro Asp Met Tyr
Pro Asp Tyr Met
Pro Met Asp Tyr
Pro Met Tyr Asp
Pro Tyr Asp Met
Pro Tyr Met Asp
Gln Cys Phe Gln
Gln Cys Gln Phe
Gln Phe Cys Gln
Gln Phe Gln Cys
Gln Gln Cys Phe
Gln Gln Phe Cys
Tyr Asp Met Pro
Tyr Asp Asn Asn
Tyr Asp Pro Met
Tyr Met Asp Pro
Tyr Met Pro Asp
Tyr Asn Asp Asn
Tyr Asn Asn Asp
Tyr Pro Asp Met
Tyr Pro Met Asp
Vardenafil
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1s,5s,6s-(-)-1,6-bis(diphenylphosphinoxy)spiro[4.4]nonane
2-Pyrrolidinone, 5-[[[(1S)-1-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-phenyl-2-propen-1-yl]imino]methyl]-5-ethenyl-, (5R)-
N,N-[(3-Oxospiro[isobenzofuran-1(3H),9-[9H]xanthene]-3,6-diyl)bis[(methylimino)-2,1-ethanediyl]]bisacetamide
Benzo[3,4]fluoreno[2,1-b]pyran-13(3H)-one,3,3-bis(4-methoxyphenyl)-6,11-dimethyl
1r,5r,6r-(+)-1,6-bis(diphenylphosphinoxy)spiro[4.4]nonane
2-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methylcarbamoyl]benzoic acid
Gelsemiol-6-trans-caffeoyl-1-glucoside
A iridoid monoterpenoid isolated from the aerial parts of Verbena litoralis and shown to possess stimulating effects on nerve growth factor.
2-({[(2r,4s,5r)-5-{2-Methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}carbamoyl)benzoic acid
methyl (5Z)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
[6-({4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-methoxyphenyl)prop-2-enoate
methyl (4s,5e,6s)-5-ethylidene-4-{2-[2-(2-hydroxyethyl)phenoxy]-2-oxoethyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate
methyl (4s,5e,6s)-5-ethylidene-4-{2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate
[(2r,3s,4s,5r,6s)-6-{[(1s,4as,5r,7s,7ar)-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-methoxyphenyl)prop-2-enoate
[(1s,3s,4s)-4-formyl-3-hydroxy-4-[(1z)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethenyl]cyclohexyl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
4,5-dihydroxy-6-{[4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-tetrahydro-3h-cyclopenta[b]furan-3-yl]methoxy}-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,6r)-13'-hydroxy-5'-methoxy-6-methyl-7'-(2-oxoheptyl)-2',10',16'-trioxaspiro[oxane-2,17'-tetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadecane]-1'(19'),3'(8'),4',6',11',13'-hexaene-9',15'-dione
2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.0²,¹⁰.0³,⁸.0¹⁴,¹⁸]nonadeca-1(12),3,5,7,18-pentaen-13-one
4- coffee acid
{"Ingredient_id": "HBIN010300","Ingredient_name": "4- coffee acid","Alias": "NA","Ingredient_formula": "C25H28N6O7","Ingredient_Smile": "CN1C=NC2C1C(=O)N(C(=O)N2C)C.C[N+]1=CC=CC(=C1)C(=O)[O-].C1=COC=C1.C1=CC(=CN=C1)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34446","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-e-p-methoxycinnamoylharpagide
{"Ingredient_id": "HBIN012675","Ingredient_name": "6'-o-e-p-methoxycinnamoylharpagide","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)OC)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13881","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-z-feruloylajugol
{"Ingredient_id": "HBIN012742","Ingredient_name": "6-o-z-feruloylajugol","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7769","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-z-p-methoxycinnamoylharpagide
{"Ingredient_id": "HBIN012744","Ingredient_name": "6'-o-z-p-methoxycinnamoylharpagide","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)OC)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13882","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8 e)-ligustroside
{"Ingredient_id": "HBIN013712","Ingredient_name": "(8 e)-ligustroside","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12822","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-e-p-methoxycinnamoylharpagide
{"Ingredient_id": "HBIN013855","Ingredient_name": "8-o-e-p-methoxycinnamoylharpagide","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13883","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-(o-methyl-p-coumaroyl)harpaside
{"Ingredient_id": "HBIN013864","Ingredient_name": "8-(o-methyl-p-coumaroyl)harpaside","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=C(C=C4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-z-p-methoxycinnamoylharpagide
{"Ingredient_id": "HBIN013876","Ingredient_name": "8-o-z-p-methoxycinnamoylharpagide","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=C(C=C4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8z)-ligustroside
{"Ingredient_id": "HBIN013910","Ingredient_name": "(8z)-ligustroside","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12823","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ajugol; 6-o-(4-hydroxy-3-methoxy-e-cinnamoyl)
{"Ingredient_id": "HBIN014993","Ingredient_name": "ajugol; 6-o-(4-hydroxy-3-methoxy-e-cinnamoyl)","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "NA","Ingredient_weight": "524.51","OB_score": "NA","CAS_id": "124168-06-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7090","PubChem_id": "NA","DrugBank_id": "NA"}
ajugol; 6-o-(4-hydroxy-3-methoxy-z-cinnamoyl)
{"Ingredient_id": "HBIN014994","Ingredient_name": "ajugol; 6-o-(4-hydroxy-3-methoxy-z-cinnamoyl)","Alias": "NA","Ingredient_formula": "C25H32O12","Ingredient_Smile": "NA","Ingredient_weight": "524.51","OB_score": "NA","CAS_id": "124224-02-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7089","PubChem_id": "NA","DrugBank_id": "NA"}