Exact Mass: 612.1345302
Exact Mass Matches: 612.1345302
Found 180 metabolites which its exact mass value is equals to given mass value 612.1345302,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxidized glutathione
Oxidized glutathione, also known as glutathione disulfide or GSSG, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. In humans, oxidized glutathione is involved in the metabolic disorder called leukotriene C4 synthesis deficiency pathway. Outside of the human body, oxidized glutathione has been detected, but not quantified in several different foods, such as leeks, star anises, mamey sapotes, climbing beans, and common persimmons. Oxidized glutathione is a glutathione dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. Glutathione participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. Glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase I (EC 4.4.1.5) catalyzes the conversion of methylglyoxal and reduced glutathione into S-D-lactoyl-glutathione. Glyoxalase II (EC 3.1.2.6) catalyzes the hydrolysis of S-D-lactoyl-glutathione into glutathione and D-lactate. Glutathione disulfide (GSSG) - oxidized glutathione - is a disulfide derived from two glutathione molecules. In living cells, glutathione disulfide is reduced into two molecules of glutathione with reducing equivalents from the coenzyme NADPH. This reaction is catalyzed by the enzyme glutathione reductase. [Wikipedia]. Glutathione disulfide is found in many foods, some of which are jute, millet, malabar plum, and acorn. [Spectral] Glutathione disulfide (exact mass = 612.15196) and 3,4-Dihydroxy-L-phenylalanine (exact mass = 197.06881) and AMP (exact mass = 347.06308) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] Glutathione disulfide (exact mass = 612.15196) and AMP (exact mass = 347.06308) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G008; [MS2] KO008986 C26170 - Protective Agent KEIO_ID G008 Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Hydroxysafflor yellow A
Hydroxysafflor yellow A is found in fats and oils. Hydroxysafflor yellow A is a constituent of the flower petals of Carthamus tinctorius (safflower). Constituent of the flower petals of Carthamus tinctorius (safflower). Hydroxysafflor yellow A is found in fats and oils and herbs and spices. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Safflomin A
Safflomin A is found in fats and oils. Safflomin A is a pigment from safflower (Carthamus tinctorius Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Carthamidin 6,7-diglucoside
Carthamidin 6,7-diglucoside is found in fats and oils. Carthamidin 6,7-diglucoside is a constituent of the flowers of Carthamus tinctorius (safflower). Constituent of the flowers of Carthamus tinctorius (safflower). Carthamidin 6,7-diglucoside is found in fats and oils and herbs and spices.
Cefpiramide
Cefpiramide is only found in individuals that have used or taken this drug. It is a third-generation cephalosporin antibiotic. The bactericidal activity of cefpiramide results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins 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
Aromadendrin 3,7-diglucoside
Aromadendrin 3,7-diglucoside is found in pulses. Aromadendrin 3,7-diglucoside is a constituent of broad bean (Vicia faba) leaves. Constituent of broad bean (Vicia faba) leaves. Aromadendrin 3,7-diglucoside is found in pulses.
5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside
5,6,7,4-tetrahydroxyflavanone 6,7-diglucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5,6,7,4-tetrahydroxyflavanone 6,7-diglucoside can be found in safflower, which makes 5,6,7,4-tetrahydroxyflavanone 6,7-diglucoside a potential biomarker for the consumption of this food product.
Safflomin A
Hydroxysafflor yellow A is a C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). It has a role as an anti-inflammatory agent, an antioxidant, a platelet aggregation inhibitor, an antineoplastic agent, a radical scavenger, an EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor, a neuroprotective agent and a plant metabolite. It is a C-glycosyl compound, a member of phenols, an enone and an enol. Hydroxysafflor Yellow A is a natural product found in Carthamus tinctorius with data available. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Safflomin
Hydroxysafflor yellow A is a C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). It has a role as an anti-inflammatory agent, an antioxidant, a platelet aggregation inhibitor, an antineoplastic agent, a radical scavenger, an EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor, a neuroprotective agent and a plant metabolite. It is a C-glycosyl compound, a member of phenols, an enone and an enol. Hydroxysafflor Yellow A is a natural product found in Carthamus tinctorius with data available. A C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Flavoplatycoside
myricetin 3-O-beta-D-xylopyranosyl(1*2)-beta-D-glucopyranoside
4,4,5,5-tetrahydroxy-6,6,3-trimethoxy-[C7-O-C7]-biflavone
1-O-gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone|1-O-[beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranosyl]-8-hydroxy-3,7-dimethoxyxanthone
1,8-Dihydroxy-3,7-dimethoxyxanthone-4-O-alpha-L-rhamnosyl (1->2)-O-beta-D-glucopyranoside
1-O-[beta?D-xylopyranosyl-(1?6)-beta?D-glucopyranosyl]-8-hydroxy-3,4,5-trimethoxyxanthone
8-O-[beta?D-xylopyranosyl-(1?6)-beta?D-glucopyranosyl]-1-hydroxy-3,4,5-trimethoxyxanthone
eriocauloside C|jaceosidin 7-O-beta-D-(6-O-p-hydroxybenzoyl)glucopyranoside
1-O-[beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranosyl]-8-hydroxy-3,5-dimethoxyxanthone|kouitchenside H
1-O-[beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranosyl]-7-hydroxy-3,4,8-trimethoxyxanthone|kouitchenside A
3,5-di-C-glucosyl-2,4,4,6-tetrahydroxydibenzoylmethane
1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone
myricetin 3-O-β-D-xylopyranosyl(1-2)-β-D-glucopyranoside
L(-)-Glutathione
Formula(Parent): C20H32N6O12S2; Bottle Name:Glutathione (oxidized form); PRIME Parent Name:Glutathione Disulfide; PRIME in-house No.:0235; SubCategory_DNP: Peptides, Oligopeptides Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Oxigluthione
Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
C27H32O16_beta-D-Glucopyranoside, 4-carboxy-2-methoxyphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-furanyl]
Glutathione (oxidized)
Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Oxidized glutathione
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YPZRWBKMTBYPTK_STSL_0172_Oxidized glutathione_8000fmol_180506_S2_LC02_MS02_115; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Hydroxysaffloryellow A
Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Cefpiramide
A third-generation cephalosporin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and (R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a broad spectrum of antibacterial activity. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins 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
Carthamidin 6,7-diglucoside
Aromadendrin 3,7-diglucoside
THEOPHYLLINE METHOXYOXIMERCURI-PROPYL SUCCINYLUREA
(1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol tetraacetate
C32H33FO9S (612.1829220000001)
N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide
disodium 3,3-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]dibenzoate
hydrogen 9-(2-carboxylatophenyl)-3-(2-methylanilino)-6-(2-methyl-4-sulphoanilino)xanthylium, monosodium salt
2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole
1,12-Bis[4-methyl-5-(2-hydroxyethyl)thiazol-3-ium-3-yl]dodecane dibromide
C24H42Br2N2O2S2 (612.1054272000001)
6-Chloro-9-(2,3,5-tri-O-benzoyl-2-C-methyl-beta-D-ribofuranosyl)-9H-purine
sodium 2-[3-(4-sulfonato-o-tolyliminio)-6-o-toluidino-3H-xanthen-9-yl]benzoate
CMP-N-acetyl-beta-neuraminate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-(4-hydroxyphenyl)-3-[2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propane-1,3-dione
2,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-chromen-4-one
(6Z)-2,5-dihydroxy-6-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
5-hydroxy-2-(4-hydroxyphenyl)-6,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one
(6E)-2,5-dihydroxy-6-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4-[hydroxy-(3,4,5-trihydroxyoxan-2-yl)methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
eriodictoyl-7-O-sophoroside
A a disaccharide derivative consisting of eriodictyol beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position. Isolated from the aerial parts of Globularia alypum, it exhibits antioxidant activity.
(3S,3S,4R,5S)-7-bromo-5-[2-[4-(2-hydroxyethyl)-1-triazolyl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-1,3,5-trimethyl-2-spiro[indole-3,2-oxolane]one
C29H37BrN4O4Si (612.1767302000001)
6-[3,5-Dihydroxy-2-[3-(3-hydroxyphenyl)propanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid
6-[4-[3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxybenzoic acid
Oxiglutatione
C26170 - Protective Agent Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
CMP-N-acetyl-beta-neuraminate(2-)
Dianion of CMP-N-acetyl-beta-neuraminate arising from deprotonation of carboxylic acid and phosphate functions; major species at pH 7.3.
RO8994
C31H31Cl2FN4O4 (612.1706277999999)
RO8994 is a highly potent and selective MDM2 inhibitor with IC50 of nM (HTRF binding assay) and 20 nM (MTT proliferation assay).
4-(4-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-methoxybenzoyloxy)-3-methoxybenzoic acid
[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6s)-6-(2-acetyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 3,4,5-trihydroxybenzoate
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
(2s,3s,4s,5s,6s)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4-dimethoxybenzoate
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1,6-dihydroxy-2,7-dimethoxyxanthen-9-one
(2r,3s,4r,5r,6s)-6-(2-acetyl-5-methoxyphenoxy)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl 3,4,5-trihydroxybenzoate
7-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydro-1-benzopyran-4-one
8-hydroxy-3-methyl-1,6-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})tetraphene-7,12-dione
2,5-dihydroxy-6-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-2-[(2s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
1-o-gentiobiosyl-3,7-dimethoxy-8-hydroxy-xanthone
{"Ingredient_id": "HBIN002913","Ingredient_name": "1-o-gentiobiosyl-3,7-dimethoxy-8-hydroxy-xanthone","Alias": "NA","Ingredient_formula": "C27H32O16","Ingredient_Smile": "COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O","Ingredient_weight": "612.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8300","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11972355","DrugBank_id": "NA"}
2''-o-(3''',4'''-dimethoxybenzoyl)orientin
{"Ingredient_id": "HBIN006165","Ingredient_name": "2''-o-(3''',4'''-dimethoxybenzoyl)orientin","Alias": "NA","Ingredient_formula": "C30H28O14","Ingredient_Smile": "COC1=C(C=C(C=C1)C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)OC","Ingredient_weight": "612.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6206","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21578039","DrugBank_id": "NA"}
(2r)-eriodictyol-7,4'-di-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN006542","Ingredient_name": "(2r)-eriodictyol-7,4'-di-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H32O16","Ingredient_Smile": "C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15297","TCMID_id": "7279","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxyxanthone
{"Ingredient_id": "HBIN013294","Ingredient_name": "7-hydroxyxanthone","Alias": "NA","Ingredient_formula": "C27H32O16","Ingredient_Smile": "COC1=C(C(=C(C2=C1OC3=C(C2=O)C=C(C=C3)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10831","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(3,4-dihydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromene-5,7,8a-triol
(2e)-1-(2,3-dihydroxy-4-{[(2s,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}phenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
2-amino-4-{[2-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-(carboxymethyl-c-hydroxycarbonimidoyl)ethyl}disulfanyl)-1-(carboxymethyl-c-hydroxycarbonimidoyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]prop-2-en-1-one
(4s)-3,4,5-trihydroxy-2-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one
(3s,4r,5r,6r)-6-{[(2r,3s,4s,5r,6s)-6-(2-acetyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxyoxan-3-yl 3,4,5-trihydroxybenzoate
3-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
(2s)-2-[(1e)-2-(1,3-dihydroxy-5-methoxy-9-oxoxanthen-2-yl)ethenyl]-7,9-dihydroxy-12-methoxy-2-methyl-3h-1,4,5-trioxatetraphen-10-one
[(3r,4r)-3-amino-2,4-dihydroxy-3-(hydroxymethyl)-5-oxocyclopent-1-en-1-yl]oxy([(2r,3s,4r,5r)-4-hydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)-3-{[(3r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxolan-2-yl]methoxy)phosphinic acid
11-hydroxy-8-methyl-1,10-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})tetracene-5,12-dione
methyl (1s,17s,19s,27s)-27-(acetyloxy)-10,15,19,22-tetrahydroxy-24-methyl-13,18,20-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,7,9,11,14,21,23,25,28-decaene-11-carboxylate
1-hydroxy-2,6-dimethoxy-8-{[(2s,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}xanthen-9-one
1-hydroxy-2,6-dimethoxy-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one
2-[(1e)-2-(1,3-dihydroxy-5-methoxy-9-oxoxanthen-2-yl)ethenyl]-7,9-dihydroxy-12-methoxy-2-methyl-3h-1,4,5-trioxatetraphen-10-one
1-(2,3-dihydroxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1,6-dihydroxy-2,7-dimethoxyxanthen-9-one
3,5,6-trihydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,4-dien-1-one
6-hydroxy-3-methyl-1,8-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})tetraphene-7,12-dione
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4-dimethoxybenzoate
8-hydroxy-3,5-dimethoxy-1-{[(2s,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}xanthen-9-one
(2r,3s,4r,5r,6s)-6-(2-acetyl-5-methoxyphenoxy)-4,5-dihydroxy-2-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl 3,4,5-trihydroxybenzoate
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydro-1-benzopyran-4-one
3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}chromen-4-one
8-hydroxy-3-methyl-1,6-bis({[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})tetraphene-7,12-dione
3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
(2r)-5-hydroxy-2-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
2-[2-(1,3-dihydroxy-5-methoxy-9-oxoxanthen-2-yl)ethenyl]-7,9-dihydroxy-12-methoxy-2-methyl-3h-1,4,5-trioxatetraphen-10-one
methyl 27-(acetyloxy)-10,15,19,22-tetrahydroxy-24-methyl-13,18,20-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,7,9,11,14,21,23,25,28-decaene-11-carboxylate
(6s)-3,5,6-trihydroxy-2-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,4-dien-1-one
6-hydroxy-3-methyl-1,8-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetraphene-7,12-dione
4-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxybenzoyloxy}-3-methoxybenzoic acid
(8ar)-2-(3,4-dihydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromene-5,7,8a-triol
(2s)-7-hydroxy-2-(4-hydroxy-3-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2s,3r,4r,5r,6r)-2,3,4-trihydroperoxy-6-(hydroxymethyl)-6-phenoxy-5-(phenylperoxy)-2-(3,4,5-trihydroxybenzoyl)oxane-3,4,5-triol
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-7-methoxychromen-4-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
3,4,5-trihydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,5,6-trihydroxy-4-(hydroxymethyl)oxan-2-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one
8-hydroxy-3-methyl-1,6-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetraphene-7,12-dione
3-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-{[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl}chromen-4-one
(2e)-3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-3,4-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]prop-2-en-1-one
(1r,3s,9s,23s,32r)-23,32-dihydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione
C28H24N2O10S2 (612.0872324000001)
(4r)-3,4,5-trihydroxy-2-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one
(4r)-3,4,5-trihydroxy-2-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[(2r,3r,4r,5s,6s)-3,5,6-trihydroxy-4-(hydroxymethyl)oxan-2-yl]-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one
5-hydroxy-7-{[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one
(2s)-2-amino-4-{[(1r)-2-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-c-hydroxycarbonimidoyl)ethyl]disulfanyl}-1-(carboxymethyl-c-hydroxycarbonimidoyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(2s)-7-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydro-1-benzopyran-4-one
2-hydroxy-1,5,6-trimethoxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one
(2r,3r)-3-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
9-hydroxy-7,12-dimethoxy-2-methyl-2-[(1e)-2-(1,3,5-trihydroxy-9-oxoxanthen-2-yl)ethenyl]-3h-1,4,5-trioxatetraphen-10-one
(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate
[(4r,5r)-5-{[(2r,3s,4s,5r,6s)-6-(2-acetyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 3,4,5-trihydroxybenzoate
11-hydroxy-8-methyl-1,10-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracene-5,12-dione
(6e)-2,5-dihydroxy-6-[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1,6-dihydroxy-2,7-dimethoxyxanthen-9-one
(2r,3r,4r,5r,6r)-2,3,4-trihydroperoxy-6-(hydroxymethyl)-6-phenoxy-5-(phenylperoxy)-2-(3,4,5-trihydroxybenzoyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-6-{[(2s,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
23,32-dihydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione
C28H24N2O10S2 (612.0872324000001)
