Exact Mass: 648.2054
Exact Mass Matches: 648.2054
Found 110 metabolites which its exact mass value is equals to given mass value 648.2054,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-(Hydroxy)phthioceranyl-2-palmitoyl(stearoyl)-2-O-sulfo-alpha,alpha-trehalose
3-(Hydroxy)phthioceranyl-2-palmitoyl(stearoyl)-2-O-sulfo-alpha,alpha-trehalose
3-Deoxy-3-[4-(3-Fluorophenyl)-1h-1,2,3-Triazol-1-Yl]-Beta-D-Galactopyranosyl 3-Deoxy-3-[4-(3-Fluorophenyl)-1h-1,2,3-Triazol-1-Yl]-1-Thio-Beta-D-Galactopyranoside
3-Deoxy-3-[4-(3-Fluorophenyl)-1h-1,2,3-Triazol-1-Yl]-Beta-D-Galactopyranosyl 3-Deoxy-3-[4-(3-Fluorophenyl)-1h-1,2,3-Triazol-1-Yl]-1-Thio-Beta-D-Galactopyranoside
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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
N-Desalkyl-itraconazole
3H-1,2,4-Triazol-3-one,4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-
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*)]-
Embigenin 2-(2-acetylrhamnoside)
5-Hydroxy-7,4-dimethoxyflavone 6-C- [ 2"-acetylrhamnosyl- (1->2) glucoside ]
[(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,
(2)-4-hydroxy-3-methoxyphenyl beta-D-{6-O-[4-O-(7S,8R)-(4-hydroxy-3-methoxyphenylglycerol-8-yl)-3-methoxybenzoyl]}glucopyranoside
(2)-4-hydroxy-3-methoxyphenyl beta-D-{6-O-[4-O-(7S,8R)-(4-hydroxy-3-methoxyphenylglycerol-8-yl)-3-methoxybenzoyl]}glucopyranoside
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
3-(7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl)propyl 3-(7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl)propanoate|3-[7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl]propyl 3-[7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl]propanoate
3-(7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl)propyl 3-(7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl)propanoate|3-[7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl]propyl 3-[7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran-5-yl]propanoate
[6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
NCGC00385630-01![6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
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
Caylin-2
4-[4,5-bis(4-trifluoromethyl-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carboxyl]-piperazin-2-one
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
2-[5-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
2-[5-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride hydrate
1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetrahydrochloride hydrate
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.
3-[(1Z,4Z,10Z,14Z)-13-acetyl-18-(2-carboxyethyl)-8-(1-hydroxyethenyl)-3,7,12,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron(4+)
3-[(1Z,4Z,10Z,14Z)-13-acetyl-18-(2-carboxyethyl)-8-(1-hydroxyethenyl)-3,7,12,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron(4+)
7-Methyl-3-(3,4,5-trihydroxyphenyl)-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
7-Methyl-3-(3,4,5-trihydroxyphenyl)-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one
4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one
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
7-methyl-3-(3,4,5-trihydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
7-methyl-3-(3,4,5-trihydroxyphenyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
6-[2-[4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[2-[4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[6-[4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[6-[4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({2-[({4,5-Dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,5,6-trihydroxyoxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({2-[({4,5-Dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,5,6-trihydroxyoxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(2R,3R,4R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
(2R,3R,4R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
(2S,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
(2S,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
3,4,5-Trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-({3-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxy)oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-({3-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxy)oxane-2-carboxylic acid
6-[2-[4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[2-[4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({2-[({4,5-Dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({2-[({4,5-Dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5,6-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({6-[({4,5-Dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-2,4,5-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({6-[({4,5-Dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-2,4,5-trihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
[6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
heme d cis-diol(2-)
heme d cis-diol(2-)
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d cis-diol.
Heme d trans-diol(2-)
Heme d trans-diol(2-)
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d trans-diol.
RS-102221 (hydrochloride)
RS-102221 (hydrochloride)
RS-102221 hydrochloride is a selective 5-HT2C receptor antagonist (Ki=10 nM). RS-102221 hydrochloride shows nearly 100-fold selectivity for the 5-HT2C receptor as compared to the 5-HT2A and 5-HT2B receptors. RS-102221 hydrochloride can promote the differentiation of new nerve cells. RS-102221 hydrochloride increases food-intake and weight-gain in rats[1][2].
(3s,4s)-5-[(3s,4s)-4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
(3s,4s)-5-[(3s,4s)-4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
2-({4,5-dihydroxy-2-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl acetate
2-({4,5-dihydroxy-2-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl acetate
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
[(3s,5r,6s)-3-[(1r)-5,7-dioxatricyclo[4.2.1.0³,⁹]nona-3,6(9)-dien-1-yloxy]-5,6-dihydroxy-4-methyl-1-[(3,4,5-trihydroxycyclohex-2-ene-1-carbonyloxy)methyl]-2-oxabicyclo[2.2.1]heptan-3-yl]methyl 2,3,4-trihydroxybenzoate
[(3s,5r,6s)-3-[(1r)-5,7-dioxatricyclo[4.2.1.0³,⁹]nona-3,6(9)-dien-1-yloxy]-5,6-dihydroxy-4-methyl-1-[(3,4,5-trihydroxycyclohex-2-ene-1-carbonyloxy)methyl]-2-oxabicyclo[2.2.1]heptan-3-yl]methyl 2,3,4-trihydroxybenzoate
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
5-[4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-6-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
5-[4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-6-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}oxan-3-yl benzoate
6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}oxan-3-yl benzoate
(3s,4s)-5-[(3s,4s)-4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-6-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
(3s,4s)-5-[(3s,4s)-4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-6-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)oxan-3-yl benzoate
(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)oxan-3-yl benzoate
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl acetate
7-methyl-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-11-one
7-methyl-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-11-one
(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-(4-hydroxy-2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)oxan-3-yl benzoate
(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-(4-hydroxy-2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)oxan-3-yl benzoate
(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
(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}oxan-3-yl benzoate
(2s,3r,4s,5s,6r)-6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}oxan-3-yl benzoate
(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
3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propanoate
3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 3-[2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propanoate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1r,2s,3r,5r,6r,8s)-6-hydroxy-2-[(4-hydroxybenzoyloxy)methyl]-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-3-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1r,2s,3r,5r,6r,8s)-6-hydroxy-2-[(4-hydroxybenzoyloxy)methyl]-8-methyl-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-3-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(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
{6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl}methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
{6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl}methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
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
5-[4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
5-[4-(acetyloxy)-7,10-dihydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-4-yl acetate
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
[9,10a-dihydroxy-4a-({2-[(1-hydroxyethylidene)amino]-2-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-c-hydroxycarbonimidoyl}ethyl}sulfanyl)-1-methyl-5,10-dioxo-octahydro-1h-naphtho[2,3-c]pyran-3-yl]acetic acid
[9,10a-dihydroxy-4a-({2-[(1-hydroxyethylidene)amino]-2-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-c-hydroxycarbonimidoyl}ethyl}sulfanyl)-1-methyl-5,10-dioxo-octahydro-1h-naphtho[2,3-c]pyran-3-yl]acetic acid
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
