Exact Mass: 772.2699332
Exact Mass Matches: 772.2699332
Found 86 metabolites which its exact mass value is equals to given mass value 772.2699332
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8alpha-Benzoyloxyacetylpringleine
Alhagidin
5-(6-(acetoxymethyl)-3-hydroxy-4-(5-hydroxy-5-(1-(isobutyryloxy)ethyl)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-5-(2-isothiocyanatobut-2-enoyloxy)tetrahydro-2H-pyran-2-yl)-2-amino-5-hydroxy-3,6-dioxocyclohex-1-enecarboxylic acid
4-O-[beta-D-apiosyl(1->2)-beta-D-glucopyranosyl]-5-hydroxyl-7-O-sinapylflavanone
3,4-Dihydroxyphenylethanol-8-O-[4-O-trans-caffeoyl-??-D-apiofuranosyl(1鈥樏傗垎3)]-??-D-glucopyranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside
(+)-2,3-trans-3,4-cis-3-acetoxy-4-(2,3-trans-3,4-trans-3,4-diacetoxy-3,4,7-trimethoxyflavan-6-yl)-3,4,7-trimethoxyflavan
3,4-dihydroxyphenylethanol-8-O-[4-O-trans-caffeoyl-beta-D-apiofuranosyl-(1->3)-beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside
(1R,2S,4S,5S,6R,7R,8R,9S,10S)-2,6,15-triacetoxy-1,8,9-tribenzoyloxy-4-hydroxy-dihydro-beta-agarofuran
13,13-Oxybis[1,2,4-trimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine]
C44H40N2O11 (772.2631970000001)
Hexa-Me ether,3,3-di-Ac,Me ester-(2R,2R,3S,3R,4S)-2-(3,4-Dihydroxyphenyl)-3,3,4,4-tetrahydro-3,3,5,7,7-pentahydroxy-2-(4-hydroxyphenyl)-[4,6-bi-2H-1-benzopyran]-8-carboxylic acid
1beta,2beta-dibenzoyloxy-4alpha-hydroxy-6alpha,9alpha,15-triacetoxy-beta-dihydroagarofuran
(2S,3S,4R,5R,6R,8R,11S,12S,13R,14R,15R)-6,11,14,17-tetraacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-l5-hydroxy-9-oxo-segetane
(11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-di-1-pyrenyl-4-oxide-dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin
3-{6-[(acetyloxy)methyl]-4-[(4,5-dihydroxy-6-methyl-5-{1-[(2-methylbutanoyl)oxy]ethyl}oxan-2-yl)oxy]-3-hydroxy-5-[(2-isothiocyanatobut-2-enoyl)oxy]oxan-2-yl}-2,3-dihydroxy-6-imino-5-oxocyclohex-1-ene-1-carboxylic acid
(1r,2'r,4'as,6'r,8'as,18s,22r,28s)-15-chloro-6',7,25,28-tetrahydroxy-2',5',5',8'a,9,14-hexamethyl-8-(3-methylbut-2-en-1-yl)-3',4',4'a,6',7',8'-hexahydro-2'h-4,11,17,21,29-pentaoxaspiro[heptacyclo[16.10.1.0²,¹⁶.0³,¹³.0⁵,¹⁰.0¹⁹,²⁷.0²⁰,²⁴]nonacosane-22,1'-naphthalene]-2,5,7,9,13,15,19(27),20(24),25-nonaen-12-one
(1s,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16r)-1,8,11,16-tetrakis(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1r,3s,5s,8r,9r,10r,11r,12s,13s,14r,15s,20s)-8-[(r)-(acetyloxy)(furan-3-yl)methyl]-12-hydroxy-9-(2-methoxy-2-oxoethyl)-3,8,14-trimethyl-17-oxo-11-(propanoyloxy)-2,4,18,22-tetraoxaheptacyclo[12.6.1.1³,¹⁰.0¹,¹².0⁵,¹⁰.0⁵,²⁰.0¹⁵,²⁰]docosan-13-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
(1s,2r,4s,5r,6r,7r,8r,9r,12s)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-7,8-bis(benzoyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate
5-{6-[(acetyloxy)methyl]-4-[(4,5-dihydroxy-6-methyl-5-{1-[(2-methylbutanoyl)oxy]ethyl}oxan-2-yl)oxy]-3-hydroxy-5-{[(2e)-2-isothiocyanatobut-2-enoyl]oxy}oxan-2-yl}-2-amino-5-hydroxy-3,6-dioxocyclohex-1-ene-1-carboxylic acid
15,17,18-trimethoxy-21-methyl-20-({15,17,18-trimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}oxy)-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
C44H40N2O11 (772.2631970000001)
14β-benzoyloxybaccatin iv
{"Ingredient_id": "HBIN001381","Ingredient_name": "14\u03b2-benzoyloxybaccatin iv","Alias": "NA","Ingredient_formula": "C39H48O16","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(C(C1OC(=O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2249","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxyphenylethanol-8-o-[4-o-trans-caffeoyl-β-d-apiofuranosyl(1→3)]-β-d-gluco-pyranosyl-(1→6)]-β-d-glucopyranoside
{"Ingredient_id": "HBIN007414","Ingredient_name": "3,4-dihydroxyphenylethanol-8-o-[4-o-trans-caffeoyl-\u03b2-d-apiofuranosyl(1\u21923)]-\u03b2-d-gluco-pyranosyl-(1\u21926)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C34H44O20","Ingredient_Smile": "C1C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6078","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5-{n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]carbamimidamido}-1-oxo-1-{[1-(sulfonatooxy)-1-[4-(sulfooxy)-3-[(sulfooxy)methyl]phenyl]propan-2-yl]oxy}pentan-2-yl)trimethylazanium
C29H48N4O14S3 (772.2329027999999)
(2r,3s,4r)-4-[(2r,3r,4s)-3,4-bis(acetyloxy)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-6-yl]-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl acetate
2,8,11,16-tetrakis(acetyloxy)-1-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
4-[3,4-bis(acetyloxy)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-6-yl]-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl acetate
(1s,2s,4s,5r,6s,7r,8r,9r,12r)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-7,8-bis(benzoyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate
2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-5-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-7-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
{[(2r,3s,8s,13r,14s,19s)-19-(4-chlorobutyl)-8-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid
C38H55Cl3N2O8 (772.3023800000001)
(1r,2r,3r,4s,5s,7r,8r,9r,11s,16s)-1,8,11,16-tetrakis(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(2s)-2-({[(2r,3s,4r,5s)-3,4-dihydroxy-5-{[(2r,3s,4s)-2,3,4-trihydroxy-5-(4-{[(1r)-1-(4-hydroxy-2-imino-7-methyl-1h-pteridin-6-yl)ethyl]amino}phenyl)pentyl]oxy}oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)pentanedioic acid
{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(3s)-3-[(2r,3r,4s,5r,6r)-6-[(acetyloxy)methyl]-3-hydroxy-4-{[(2r,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-5-[(1s)-1-[(2-methylpropanoyl)oxy]ethyl]oxan-2-yl]oxy}-5-{[(2z)-2-isothiocyanatobut-2-enoyl]oxy}oxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohex-1-ene-1-carboxylic acid
(1s,2'r,4'as,6'r,8'as,18r,22r,28r)-15-chloro-6',7,25,28-tetrahydroxy-2',5',5',8'a,9,14-hexamethyl-8-(3-methylbut-2-en-1-yl)-3',4',4'a,6',7',8'-hexahydro-2'h-4,11,17,21,29-pentaoxaspiro[heptacyclo[16.10.1.0²,¹⁶.0³,¹³.0⁵,¹⁰.0¹⁹,²⁷.0²⁰,²⁴]nonacosane-22,1'-naphthalene]-2,5,7,9,13,15,19(27),20(24),25-nonaen-12-one
5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-7,8-bis(benzoyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate
(2r,3r,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(3s)-3-[(2r,3r,4s,5r,6r)-6-[(acetyloxy)methyl]-3-hydroxy-4-{[(2s,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyl-5-[(1s)-1-[(2-methylpropanoyl)oxy]ethyl]oxan-2-yl]oxy}-5-{[(2z)-2-isothiocyanatobut-2-enoyl]oxy}oxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohex-1-ene-1-carboxylic acid
[(2r,3r,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3-{6-[(acetyloxy)methyl]-4-[(4,5-dihydroxy-6-methyl-5-{1-[(2-methylbutanoyl)oxy]ethyl}oxan-2-yl)oxy]-3-hydroxy-5-{[(2e)-2-isothiocyanatobut-2-enoyl]oxy}oxan-2-yl}-2,3-dihydroxy-6-imino-5-oxocyclohex-1-ene-1-carboxylic acid
(1r,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16s)-2,8,11,16-tetrakis(acetyloxy)-1-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(6r,7r)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(3r,4s)-7-carbamimidamido-3-hydroxy-4-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-(methylamino)propylidene]amino}propylidene]amino}heptanoyl]oxy}methyl)-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(1s,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16s)-1,8,11,16-tetrakis(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,5s,8r,9r,10r,11s,12s,13s,14s,15s,20r)-12,13-bis(acetyloxy)-8-[(r)-(acetyloxy)(furan-3-yl)methyl]-9-(2-methoxy-2-oxoethyl)-3,8,14-trimethyl-17-oxo-2,4,18,22-tetraoxaheptacyclo[12.6.1.1³,¹⁰.0¹,¹².0⁵,¹⁰.0⁵,²⁰.0¹⁵,²⁰]docosan-11-yl 2-methylpropanoate
(2s)-7-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1r,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16r)-1,8,11,16-tetrakis(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
{[19-(4-chlorobutyl)-8-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid
C38H55Cl3N2O8 (772.3023800000001)
(1s,2s,4s,5r,6s,7s,8r,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5,8-bis(benzoyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,3r,4s,7r,9s,10s,11r,12r,15r,16s)-2,4,9,11,12,15-hexakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-16-yl benzoate
(3r)-3-[(2r,3r,4r,5r,6r)-6-[(acetyloxy)methyl]-4-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyl-5-[(1s)-1-{[(2r)-2-methylbutanoyl]oxy}ethyl]oxan-2-yl]oxy}-3-hydroxy-5-{[(2e)-2-isothiocyanatobut-2-enoyl]oxy}oxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohex-1-ene-1-carboxylic acid
(2s)-2-(4-{[(2s,3r,4s,5s,6r)-3-{[(2s,3s,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-7-yl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
(20r)-15,17,18-trimethoxy-21-methyl-20-{[(20s)-15,17,18-trimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl]oxy}-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
C44H40N2O11 (772.2631970000001)
(1r,3r,5s,8r,9r,10r,11s,12s,13s,14r,15s,20s)-12,13-bis(acetyloxy)-8-[(r)-(acetyloxy)(furan-3-yl)methyl]-9-(2-methoxy-2-oxoethyl)-3,8,14-trimethyl-17-oxo-2,4,18,22-tetraoxaheptacyclo[12.6.1.1³,¹⁰.0¹,¹².0⁵,¹⁰.0⁵,²⁰.0¹⁵,²⁰]docosan-11-yl 2-methylpropanoate
4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-7,8-bis(benzoyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(4-{n-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]carbamimidamido}-1-{[1-(sulfooxy)-1-[4-(sulfooxy)-3-[(sulfooxy)methyl]phenyl]propan-2-yl]-c-hydroxycarbonimidoyl}butyl)trimethylazanium
(2r,3r,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2r,3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
{[(2r,3s,13r,14s)-19-(4-chlorobutyl)-8-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid
C38H55Cl3N2O8 (772.3023800000001)