Exact Mass: 648.2449
Exact Mass Matches: 648.2449
Found 52 metabolites which its exact mass value is equals to given mass value 648.2449,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Chalcomoracin
2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
Chalcomoracin is found in fruits. Phytoalexin from diseased white mulberry (Morus alba
2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate-5-benzoate, [3R-(3.alpha.,4.alpha.,5.alpha.,5a.alpha.,6.alpha.,7.alpha.,9.beta.,9a.alpha.,10R*)]-
2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate-5-benzoate, [3R-(3.alpha.,4.alpha.,5.alpha.,5a.alpha.,6.alpha.,7.alpha.,9.beta.,9a.alpha.,10R*)]-
[(1S,6S,7R,10R,15S,16R,18S,19R,20R)-6-(3-Furyl)-8,9,18,19,20-pentahydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-16-yl]acetic acid
[(1S,6S,7R,10R,15S,16R,18S,19R,20R)-6-(3-Furyl)-8,9,18,19,20-pentahydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-16-yl]acetic acid
6-O-beta-D-Glycopyranosyl,hexa-Ac-4,12-Tetradecadiene-8,10-diyne-1,6,7-triol,
6-O-beta-D-Glycopyranosyl,hexa-Ac-4,12-Tetradecadiene-8,10-diyne-1,6,7-triol,
CHALCOMORACIN
2-(6-{[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
Glu Glu Trp Trp
(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Glu Trp Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Glu Trp Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Trp Glu Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Trp Glu Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Trp Trp Glu Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]pentanedioic acid
N-[3,5-bis(trifluoroMethyl)phenyl]-N-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1,2-e]azepin-4-yl]cyclohexyl]-Urea
N-[3,5-bis(trifluoroMethyl)phenyl]-N-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1,2-e]azepin-4-yl]cyclohexyl]-Urea
N-[3,5-bis(trifluoroMethyl)phenyl]-N-[(1R,2R)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1,2-e]azepin-4-yl]cyclohexyl]-Urea
N-[3,5-bis(trifluoroMethyl)phenyl]-N-[(1R,2R)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1,2-e]azepin-4-yl]cyclohexyl]-Urea
Sorocenol H
Sorocenol H
A member of the class of 1-benzofurans isolated from Sorocea muriculata that has been shown to exhibit antibacterial activity against methicillin-resistant Staphylococcus aureus.
alpha-D-abequosyl-(1->3)-2-O-methyl-alpha-D-mannosyl-(1->3)-alpha-D-glucosyl-(1->4)-beta-D-glucose
alpha-D-abequosyl-(1->3)-2-O-methyl-alpha-D-mannosyl-(1->3)-alpha-D-glucosyl-(1->4)-beta-D-glucose
5-(6-bromohexa-3,5-dien-1-yl)-1,7-dihydroxy-13-[(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy]-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
5-(6-bromohexa-3,5-dien-1-yl)-1,7-dihydroxy-13-[(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy]-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
(1r,2r,4r,5s,6r,7r,8s,9s,12s)-4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1r,2r,4r,5s,6r,7r,8s,9s,12s)-4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
13,17,18,30-tetramethoxy-24-methyl-9,11,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁸,¹².0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),3,5,7,12,14(39),16(21),17,19,27,29,31(38),33,36-tetradecaene
13,17,18,30-tetramethoxy-24-methyl-9,11,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁸,¹².0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),3,5,7,12,14(39),16(21),17,19,27,29,31(38),33,36-tetradecaene
1α,2α,6β,8β,13-pentaacetoxy-9β-benzoyloxy-4β-hydroxy-β-dihydroagarofuran
NA
{"Ingredient_id": "HBIN002268","Ingredient_name": "1\u03b1,2\u03b1,6\u03b2,8\u03b2,13-pentaacetoxy-9\u03b2-benzoyloxy-4\u03b2-hydroxy-\u03b2-dihydroagarofuran","Alias": "NA","Ingredient_formula": "C32H40O14","Ingredient_Smile": "CC(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16804","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(1s,2s,6s)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
4-[(1s,2s,6s)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4-[(1r,2r,6s)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
4-[(1r,2r,6s)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(1s,2s,4s,5r,6s,7s,8r,9r,12r)-4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,4s,5r,6s,7s,8r,9r,12r)-4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,5r,7r,8r,11s,12r,13s)-5-[(3e,5e)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-13-{[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
(1s,5r,7r,8r,11s,12r,13s)-5-[(3e,5e)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-13-{[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
2-[(1s,5r,6r)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
2-[(1s,5r,6r)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
2-[(1s,4s,5r)-5-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-4-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
2-[(1s,4s,5r)-5-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-4-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
4-[6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
4-[6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(1s,5r,7r,8r,11s,12s,13s)-5-[(3e,5e)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-13-{[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
(1s,5r,7r,8r,11s,12s,13s)-5-[(3e,5e)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-13-{[(2r,3r,4s,5s,6s)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
(1s,2s,4s,5r,6s,7r,8s,9r,12r)-4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,4s,5r,6s,7r,8s,9r,12r)-4,5,8,12-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
2-[(1r,5r,6s)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
2-[(1r,5r,6s)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
(1r,5s,7s,8s,11r,12s,13r)-5-[(3e,5e)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-13-{[(2s,3s,4r,5r,6r)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
(1r,5s,7s,8s,11r,12s,13r)-5-[(3e,5e)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-13-{[(2s,3s,4r,5r,6r)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
(8r)-10-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-8-ethyl-1,6,7,8,11-pentahydroxy-7,9,10,11a-tetrahydro-5ah-tetracene-5,12-dione
(8r)-10-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-8-ethyl-1,6,7,8,11-pentahydroxy-7,9,10,11a-tetrahydro-5ah-tetracene-5,12-dione
(25s)-8,17,18,30-tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁹,¹³.0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),3,5,7,9(13),14(39),16(21),17,19,27,29,31(38),33,36-tetradecaene
(25s)-8,17,18,30-tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁹,¹³.0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),3,5,7,9(13),14(39),16(21),17,19,27,29,31(38),33,36-tetradecaene
(s)-[(1s,2r,3r,5s,7r,8s,9r,10r,11r,12s,17s,18r,20r,21s)-21-(acetyloxy)-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁷.0¹²,²⁰]docosan-8-yl](furan-3-yl)methyl acetate
(s)-[(1s,2r,3r,5s,7r,8s,9r,10r,11r,12s,17s,18r,20r,21s)-21-(acetyloxy)-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁷.0¹²,²⁰]docosan-8-yl](furan-3-yl)methyl acetate
2-[(1s,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol
2-[(1s,5s,6r)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol
2-[(1r,5s,6r)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
2-[(1r,5s,6r)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
2-[(1s,5s,6r)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
2-[(1s,5s,6r)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
[21-(acetyloxy)-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁷.0¹²,²⁰]docosan-8-yl](furan-3-yl)methyl acetate
[21-(acetyloxy)-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁷.0¹²,²⁰]docosan-8-yl](furan-3-yl)methyl acetate
4-[(1r,2s,6s)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
4-[(1r,2s,6s)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-ene-1-carbonyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
8,17,18,30-tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁹,¹³.0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),3,5,7,9(13),14(39),16(21),17,19,27,29,31(38),33,36-tetradecaene
8,17,18,30-tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁹,¹³.0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),3,5,7,9(13),14(39),16(21),17,19,27,29,31(38),33,36-tetradecaene
2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol
2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol
