Exact Mass: 668.2599
Exact Mass Matches: 668.2599
Found 49 metabolites which its exact mass value is equals to given mass value 668.2599,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Isolimonic acid glucoside
9b-(2-carboxy-1-hydroxyethyl)-7-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2-oxirane]-3-carboxylic acid
Isolimonic acid glucoside is found in citrus. Isolimonic acid glucoside is a constituent of Citrus aurantium. Constituent of Citrus aurantium. Isolimonic acid glucoside is found in citrus.
Ichangic acid 17-beta-D-glucopyranoside
6-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-4a,6-dimethyl-4,6-dioxo-tetrahydro-2H-dispiro[oxane-3,1-naphthalene-5,2-oxirane]-3-carboxylic acid
Ichangic acid 17-beta-D-glucopyranoside is found in citrus. Ichangic acid 17-beta-D-glucopyranoside is a constituent of Citrus aurantium (Seville orange). Constituent of Citrus aurantium (Seville orange). Ichangic acid 17-beta-D-glucopyranoside is found in citrus.
Myricanol 5-[arabinosyl-(1->6)-glucoside]
2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
Myricanol 5-[arabinosyl-(1->6)-glucoside] is found in fruits. Myricanol 5-[arabinosyl-(1->6)-glucoside] is a constituent of Myrica rubra (Chinese bayberry). Constituent of Myrica rubra (Chinese bayberry). Myricanol 5-[arabinosyl-(1->6)-glucoside] is found in fruits.
6-Keto-7beta-deacetylnomilol 7-beta-D-glucopyranoside
6-Keto-7beta-deacetylnomilol 7-beta-D-glucopyranoside
1beta-hydroxy-10-deacetyl-10-glycolylbaccatin I|1??-Hydroxy-10-deacetyl-10-glycolylbaccatin I
1beta-hydroxy-10-deacetyl-10-glycolylbaccatin I|1??-Hydroxy-10-deacetyl-10-glycolylbaccatin I
11,14-epoxy-3beta,5alpha,7beta,8alpha,9alpha,15beta-hexaacetoxy-12-oxo-13alphaH-jatropha-6(17)-ene
11,14-epoxy-3beta,5alpha,7beta,8alpha,9alpha,15beta-hexaacetoxy-12-oxo-13alphaH-jatropha-6(17)-ene
Asp Trp Trp Tyr
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
Asp Trp Tyr Trp
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
Asp Tyr Trp Trp
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Trp Asp Trp Tyr
(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
Trp Asp Tyr Trp
(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Trp Trp Asp Tyr
(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
Trp Trp Tyr Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid
Trp Tyr Asp Trp
(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
Trp Tyr Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Tyr Asp Trp Trp
(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
Tyr Trp Asp Trp
(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
Tyr Trp Trp Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid
Myricanol 5-[arabinosyl-(1->6)-glucoside]
2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
Ichangic acid 17-b-D-glucopyranoside
6-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-4a,6-dimethyl-4,6-dioxo-octahydrodispiro[oxane-3,1-naphthalene-5,2-oxirane]-3-carboxylic acid
Isolimonic acid glucoside
9a-(2-carboxy-1-hydroxyethyl)-3-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,4a,7,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-4,2-oxirane]-3-carboxylic acid
Elinzanetant
Elinzanetant
Elizanetant (NT-814) is an orally active, selective NK-1,3 receptor antagonist. Elizanetant can be used in vasomotor and schizophrenia studies[1][2].
2-{3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-{3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2',5',7',9',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-10'-yl 2-hydroxyacetate
2',5',7',9',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-10'-yl 2-hydroxyacetate
(1s,2s,7r,8s,9z,12s,13s,14r,15r,16r,17r)-2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl 3-methylbutanoate
(1s,2s,7r,8s,9z,12s,13s,14r,15r,16r,17r)-2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl 3-methylbutanoate
2-[(1s,5s,6r)-6-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
2-[(1s,5s,6r)-6-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
1β-hydroxy-10-deacetyl-10-glycolylbaccatin i
NA
{"Ingredient_id": "HBIN002398","Ingredient_name": "1\u03b2-hydroxy-10-deacetyl-10-glycolylbaccatin i","Alias": "NA","Ingredient_formula": "C32H44O15","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9962","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl 3-methylbutanoate
2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl 3-methylbutanoate
(5s,6s,12s)-12-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-8-hydroxy-5-(4-hydroxyphenyl)-2-[(2,2,6,6-tetramethyloxan-3-yl)methyl]-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-10-one
(5s,6s,12s)-12-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-8-hydroxy-5-(4-hydroxyphenyl)-2-[(2,2,6,6-tetramethyloxan-3-yl)methyl]-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-10-one
9b-(2-carboxy-1-hydroxyethyl)-7-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-hexahydrospiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid
9b-(2-carboxy-1-hydroxyethyl)-7-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-hexahydrospiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid
(2r,3r,4s,5r,6r)-2-{3-[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5r,6r)-2-{3-[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,2r,4s,5s,6r,7r,9r,10s,11s,13r,15s)-2,5,7,10,11-pentakis(acetyloxy)-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.0²,⁶]hexadecan-9-yl acetate
(1r,2r,4s,5s,6r,7r,9r,10s,11s,13r,15s)-2,5,7,10,11-pentakis(acetyloxy)-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.0²,⁶]hexadecan-9-yl acetate
6'-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2'-(2-hydroxypropan-2-yl)-4'a,6'-dimethyl-4',6-dioxo-tetrahydro-2'h-dispiro[oxane-3,1'-naphthalene-5',2''-oxirane]-3''-carboxylic acid
6'-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2'-(2-hydroxypropan-2-yl)-4'a,6'-dimethyl-4',6-dioxo-tetrahydro-2'h-dispiro[oxane-3,1'-naphthalene-5',2''-oxirane]-3''-carboxylic acid
(5s,6s,12s)-12-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-8-hydroxy-2-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-10-one
(5s,6s,12s)-12-(2,4-dihydroxyphenyl)-6-(3,5-dihydroxyphenyl)-8-hydroxy-2-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1,3(7),8-trien-10-one
(1s,2s,7r,8s,9z,12s,13s,14r,15s,16s,17r)-2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl 3-methylbutanoate
(1s,2s,7r,8s,9z,12s,13s,14r,15s,16s,17r)-2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl 3-methylbutanoate
(1's,2r,2's,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-10'-yl 2-hydroxyacetate
(1's,2r,2's,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-10'-yl 2-hydroxyacetate
(2r,3r,4s,5s,6r)-2-{3-[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{3-[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
n-[15-benzyl-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-10-(sec-butyl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
n-[15-benzyl-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-10-(sec-butyl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
2,5,7,10,11-pentakis(acetyloxy)-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.0²,⁶]hexadecan-9-yl acetate
2,5,7,10,11-pentakis(acetyloxy)-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.0²,⁶]hexadecan-9-yl acetate
(2'r,3r,3''s,4s,4'ar,5'r,6's,8'ar)-6'-[(s)-furan-3-yl({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2'-(2-hydroxypropan-2-yl)-4'a,6'-dimethyl-4',6-dioxo-tetrahydro-2'h-dispiro[oxane-3,1'-naphthalene-5',2''-oxirane]-3''-carboxylic acid
(2'r,3r,3''s,4s,4'ar,5'r,6's,8'ar)-6'-[(s)-furan-3-yl({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2'-(2-hydroxypropan-2-yl)-4'a,6'-dimethyl-4',6-dioxo-tetrahydro-2'h-dispiro[oxane-3,1'-naphthalene-5',2''-oxirane]-3''-carboxylic acid
(1s,2s,7r,8s,9z,12s,13s,14r,15s,16s,17r)-2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl (2r)-2-methylbutanoate
(1s,2s,7r,8s,9z,12s,13s,14r,15s,16s,17r)-2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl (2r)-2-methylbutanoate
(3's,3ar,5ar,6r,7s,9ar,9bs)-9b-[(1r)-2-carboxy-1-hydroxyethyl]-7-[(s)-furan-3-yl({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-hexahydrospiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid
(3's,3ar,5ar,6r,7s,9ar,9bs)-9b-[(1r)-2-carboxy-1-hydroxyethyl]-7-[(s)-furan-3-yl({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-hexahydrospiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid
2-{6-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
2-{6-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
