Exact Mass: 556.1273584
Exact Mass Matches: 556.1273584
Found 239 metabolites which its exact mass value is equals to given mass value 556.1273584
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aurasperone D
Aurasperone D is found in mango. Aurasperone D is a mycotoxin from Aspergillus niger infected mango fruits. Mycotoxin from Aspergillus niger infected mango fruits. Aurasperone D is found in mango.
6-O-Demethylnigerone
6-O-Demethylnigerone is from Aspergillus niger. Mycotoxin. From Aspergillus niger. Mycotoxin.
Ephedrannin A
Ephedrannin A is found in fruits. Ephedrannin A is isolated from Prunus armeniaca (apricot). Isolated from Prunus armeniaca (apricot). Ephedrannin A is found in fruits.
Dianhydroaurasperone C
Dianhydroaurasperone C is produced by Aspergillus niger. Production by Aspergillus niger.
Cefluprenam
Morelloflavone
Niceritrol
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Salvianolic acid K
Salvianolic acid K, also known as salvianolate K, is a member of the class of compounds known as lignans, neolignans and related compounds. Lignans, neolignans and related compounds are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5, C8-C8. Most known natural lignans are oxidized at C9 and C9¬¥ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Salvianolic acid K is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Salvianolic acid K can be found in common sage, which makes salvianolic acid K a potential biomarker for the consumption of this food product. Salvianolic acid K, also known as salvianolate K, is a member of the class of compounds known as lignans, neolignans and related compounds. Lignans, neolignans and related compounds are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5, C8-C8. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Salvianolic acid K is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Salvianolic acid K can be found in common sage, which makes salvianolic acid K a potential biomarker for the consumption of this food product.
I-5,II-5,I-7,II-7,I-3,I-4,II-4-Heptahydroxy-[I-3,II-8]flavanonylflavone
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
curtisian A
A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3, 5 and 6, hydroxy groups at positions 4 and 4 and a benzyloxy group at position 2. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity.
7-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]methyl-4-hydroxy-5H-furo[3,2-g][1]benzopyran-5-one
(I-2S)-I-5,II-5,I-7,II-7,I-2,II-2,II-5-heptahydroxy-[I-6,II-6]-flavanonylflavone
(2S,2S)-2,3,2,3-tetrahydro-4-O-methylamentoflavone|(2S,2S)-2,3,2,3-tetrahydroamentoflavone-4-methyl ether|(2S,2S)-2,3,2,3-tetrahydrobilobetin
4-O-(2,3-O-diacetyl-6-O-p-coumaroyl-beta-D-glucopyranosyl)-p-coumaric acid
2S-2-(4-hydroxyphenyl)-9,10,11-trihydroxy-2H-benzo[c]furo[2,3-f ]-chromen-7(3H)-one-4-O-beta-D-glucopyranoside|polygonumoside A
6-O-[(6-O-malonyl)-beta-D-glucopyranosyl]-5-hydroxy-7-(4-hydroxyphenyl)-3H-benzo[de]isochromen-1-one
aloenin 2-p-coumaroyl ester|aloenin-2-p-coumaroyl ester|p-coumaroyl aloenin
Niceritrol
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Sikokianin A
Sikokianin A is a natural product found in Stellera chamaejasme with data available.
Morelloflavone
(+)-morelloflavone is a biflavonoid found in Rheedia edulis and Garcinia livingstonei. It has a role as a plant metabolite. It is a biflavonoid, a hydroxyflavone and a hydroxyflavanone. (+)-Morelloflavone is a natural product found in Garcinia multiflora, Garcinia intermedia, and other organisms with data available. A biflavonoid found in Rheedia edulis and Garcinia livingstonei.
8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]
6-O-Demethylnigerone
Dianhydroaurasperone C
Ephedrannin A
7-(4-{[3-(2,6-Difluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}- 1-piperazinyl)-6-fluoro-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3- carboxylic acid
C26H19F3N4O5S (556.1028200000001)
o-cresolsulfonphthalein-3,3-bis(methylaminoacetic acid sodium salt)
5-(4-(Bromomethyl)-[1,1-biphenyl]-2-yl)-1-trityl-1H-tetrazole
5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole
(-)-1,2-bis((2s,5s)-2,5-dimethylphospholano)ethane(cyclooctadiene)rhodium (i) tetrafluoroborate
N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole Sulfide
(1Z,5Z)-cycloocta-1,5-diene,(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane,rhodium,tetrafluoroborate
Cefluprenam
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
3-[5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-beta-L-allose
C18H28N3O13P2- (556.1097318000001)
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-alpha-D-glucose
C18H28N3O13P2- (556.1097318000001)
3-[(E)-3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
7,13-Bis[(2-chloro-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
(2S)-2-amino-5-[[(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
C20H28N8O9S (556.1699878000001)
D-ribitol-(5-P-2)-alpha-D-Galp-(1->3)-alpha-D-Glcp
A disaccharide phosphate consisting of alpha-D-galactosyl-(1->3)-alpha-D-glucose having a D-ribitol-5-phosphate moiety attached at the 2-position of the galactose via a phosphodiester linkage.
7,19-dimethyl (1s,5r,17s)-8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴.0¹⁸,²⁷.0²¹,²⁶]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
4-bromo-n-{[(1r,2s,3s,4r)-2-[(4r)-5-hydroxy-2-imino-3,4-dihydroimidazol-4-yl]-3-(2-imino-1,3-dihydroimidazol-4-yl)-4-[(1h-pyrrol-2-ylformamido)methyl]cyclobutyl]methyl}-1h-pyrrole-2-carboxamide
C22H25BrN10O3 (556.1294359999999)
2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate
9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(5r,6s)-6-{[(2s,3r,4s,5s,6r)-3-{[1,1'-biphenyl]-3,3',5-triyloxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-ethenyl-3h,5h,6h-pyrano[3,4-c]pyran-1-one
10-{4,5-dihydroxy-10-methoxy-2-methyl-8-oxocyclohexa[h]chromen-6-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate
4-bromo-n-{[2-(5-hydroxy-2-imino-3,4-dihydroimidazol-4-yl)-3-(2-imino-1,3-dihydroimidazol-4-yl)-4-[(1h-pyrrol-2-ylformamido)methyl]cyclobutyl]methyl}-1h-pyrrole-2-carboxamide
C22H25BrN10O3 (556.1294359999999)
2,12-bis(acetyloxy)-8-chloro-3,18-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate
(2r,3s)-3-[(2r,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2s,3s)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate
(2s,3s)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
1,2',5',8,10'-pentahydroxy-3,7'-dimethoxy-2',6-dimethyl-1',3'-dihydro-10h-[2,9'-bianthracene]-4',9-dione
2-[3-(2,4-dihydroxyphenoxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
(15r)-3,4,5-trihydroxy-15-(4-hydroxyphenyl)-12-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2(7),3,5,11,13(17)-hexaen-8-one
7,19-dimethyl (1r,5r,17s)-8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴.0¹⁸,²⁷.0²¹,²⁶]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
2-(4-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-hydroxyphenoxy)-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
7-hydroxy-4'-methoxyisoflavan-2',5'-quinone(4→5')-2',7-dihydroxy-4'-methoxyisoflavan
{"Ingredient_id": "HBIN013235","Ingredient_name": "7-hydroxy-4'-methoxyisoflavan-2',5'-quinone(4\u21925')-2',7-dihydroxy-4'-methoxyisoflavan","Alias": "NA","Ingredient_formula": "C32H28O9","Ingredient_Smile": "NA","Ingredient_weight": "556.56","OB_score": "NA","CAS_id": "100478-03-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7453","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxylneochaejasmin a
{"Ingredient_id": "HBIN013344","Ingredient_name": "7-methoxylneochaejasmin a","Alias": "NA","Ingredient_formula": "C31H24O10","Ingredient_Smile": "COC1=CC(=C2C(=C1)OC(C(C2=O)C3C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13982","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
amaronitidin
{"Ingredient_id": "HBIN015819","Ingredient_name": "amaronitidin","Alias": "NA","Ingredient_formula": "C28H28O12","Ingredient_Smile": "C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)OC4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O","Ingredient_weight": "556.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1019","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101720810","DrugBank_id": "NA"}
arurasperone d
{"Ingredient_id": "HBIN017012","Ingredient_name": "arurasperone d","Alias": "NA","Ingredient_formula": "C31H24O10","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)O)O)C(=O)C=C(O5)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-ethyl-19-hydroxy-8-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
(2s)-8-{5-[(2s)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-2-methoxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
2-{2-[(2s)-5,7-dihydroxy-2-(2-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-6-yl]-3,6-dihydroxyphenyl}-5,7-dihydroxychromen-4-one
9-(3-acetyl-4-hydroxy-5,7-dimethoxy-2-methylnaphthalen-1-yl)-10-hydroxy-5,7-dimethoxy-2-methylanthracene-1,4-dione
7,19-dimethyl 8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴.0¹⁸,²⁷.0²¹,²⁶]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
2-{2-[5,7-dihydroxy-2-(2-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-6-yl]-3,6-dihydroxyphenyl}-5,7-dihydroxychromen-4-one
9-(2h-1,3-benzodioxol-5-yl)-4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
(7r)-5-bromo-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl (2e,4s)-2,4-dimethyldec-2-enoate
5,7-dihydroxy-2-(4-{2-hydroxy-5-[(2r,3r)-3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenoxy}phenyl)chromen-4-one
10-{5,8-dihydroxy-6-methoxy-2-methyl-4-oxobenzo[g]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
5,7-dihydroxy-2-{4-[2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]phenyl}chromen-4-one
3,10,14,16,21-pentahydroxy-17-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione
10-(3-acetyl-4-hydroxy-5,7-dimethoxy-2-methylnaphthalen-1-yl)-9-hydroxy-6,8-dimethoxy-3-methylanthracene-1,2-dione
6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,5,8,10,15,17,19-heptaen-7-one
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
6-{6-[(2s)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
7-[(4-carboxy-2,5-dihydroxybenzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
2-[(3r,4s)-7-hydroxy-4-{4-hydroxy-5-[(3r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-2-methoxyphenyl}-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
9-{5,8-dihydroxy-10-methoxy-2-methyl-4-oxobenzo[h]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
(1r,2s,3r,5r,7s,8r,11r,12r,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate
10-{5,8-dihydroxy-10-methoxy-2-methyl-4-oxobenzo[h]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
(2s,3s)-3-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(2s,3s)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(19s)-19-ethyl-19-hydroxy-8-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
2-{3-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-4-hydroxyphenyl}-5-hydroxy-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(1r,4ar,7r,7ar)-7-[(4-carboxy-2,5-dihydroxybenzoyloxy)methyl]-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(11s,14s)-11-benzyl-14-(1-hydroxyethyl)-4,17-dimethyl-6,19-dithia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
C25H28N6O5S2 (556.1562518000001)
2',7'-bis(acetyloxy)-13'-chloro-11'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-9'-yl acetate
2-{9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3h,4h-naphtho[2,3-c]pyran-5-yl}-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
(2s,3r)-3-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
2-[3-(2,4-dihydroxyphenoxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
10-{4,5-dihydroxy-10-methoxy-2-methyl-8-oxocyclohexa[h]chromen-9-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
(4r,11s,14s,17r)-11-benzyl-14-[(1r)-1-hydroxyethyl]-4,17-dimethyl-6,19-dithia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
C25H28N6O5S2 (556.1562518000001)
(2s)-2-(3-{4-[(2s)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]phenoxy}-4-hydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(2s,4'r,12'r)-4,6,8'-trihydroxy-4',12'-bis(4-hydroxyphenyl)-4'-methoxy-5',13'-dioxaspiro[1-benzofuran-2,3'-tricyclo[7.4.0.0²,⁶]tridecane]-1',6',8'-trien-3-one
(2r,3r)-2-{4-[(1e)-3-[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
6-{5,8-dihydroxy-6-methoxy-2-methyl-4-oxobenzo[g]chromen-7-yl}-5-hydroxy-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
(2s)-8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
4-hydroxy-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)furo[3,2-g]chromen-5-one
2',7'-bis(acetyloxy)-13'-chloro-9'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate
2-{2-[(2r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-6-yl]-4,5-dihydroxyphenyl}-5,7-dihydroxychromen-4-one
6-[6-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(2r,3s)-2-{4-[(1e)-3-[(1s)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
5-bromo-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dimethyldec-2-enoate
4-hydroxy-7-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)furo[3,2-g]chromen-5-one
(11s,14s)-11-benzyl-14-[(1r)-1-hydroxyethyl]-4,17-dimethyl-6,19-dithia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
C25H28N6O5S2 (556.1562518000001)
11-benzyl-14-(1-hydroxyethyl)-4,17-dimethyl-6,19-dithia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
C25H28N6O5S2 (556.1562518000001)
(1s,13r,21s)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,5,8,10,15,17,19-heptaen-7-one
4,5,6-trihydroxy-2-(2-oxopropyl)-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}cyclohexa[g]chromen-8-one
4,6,8'-trihydroxy-4',12'-bis(4-hydroxyphenyl)-4'-methoxy-5',13'-dioxaspiro[1-benzofuran-2,3'-tricyclo[7.4.0.0²,⁶]tridecane]-1',6',8'-trien-3-one
8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(2s,3r)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
6-{4,5-dihydroxy-6-methoxy-2-methyl-8-oxocyclohexa[g]chromen-7-yl}-5-hydroxy-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate
(2s,3s)-3-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1'r,2r,2's,3's,7's,8's,9'r,10's,11'r,13's,14'r,17'r)-2',7'-bis(acetyloxy)-13'-chloro-9'-hydroxy-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate
3,10,14,16,21-pentahydroxy-6-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-12-(3-methylbut-2-en-1-yl)pentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,6,9,11,13,15,17,20-nonaene-5,8,19-trione
8-[(2s,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(2s,4'r,12's)-4,6,8'-trihydroxy-4',12'-bis(4-hydroxyphenyl)-4'-methoxy-5',13'-dioxaspiro[1-benzofuran-2,3'-tricyclo[7.4.0.0²,⁶]tridecane]-1',6',8'-trien-3-one
(15s)-3,4,5-trihydroxy-15-(4-hydroxyphenyl)-12-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2(7),3,5,11,13(17)-hexaen-8-one
2-{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-6-yl]-4,5-dihydroxyphenyl}-5,7-dihydroxychromen-4-one
3-(4-hydroxyphenyl)-3-{6-[(1z)-2-(4-hydroxyphenyl)ethenyl]-2-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-3-yl}propanoic acid
6-{5-[(2s)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(4s,11s,14s,17s)-11-benzyl-14-[(1r)-1-hydroxyethyl]-4,17-dimethyl-6,19-dithia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
C25H28N6O5S2 (556.1562518000001)