Exact Mass: 554.2205
Exact Mass Matches: 554.2205
Found 500 metabolites which its exact mass value is equals to given mass value 554.2205
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bis(N-pantothenylamidoethyl) disulfide
Same as: D01234 Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
D-Pantethine
D-Pantethine, also known as pantetina or pantomin, belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Most vitamin B5 supplements are in the form of calcium pantothenate, a salt of pantothenic acid, with doses in the range of 5 to 10 mg/day. Pantethine is available in the United States as a dietary supplement because of evidence of its health benefits for lowering elevated LDL-cholesterol and triglycerides, and raising HDL-cholesterol (the good cholesterol). In contrast, pantethine is sold as a dietary supplement for lowering blood cholesterol and triglycerides at doses of 500 to 1200 mg/day. These clinical trials were conducted with daily intakes ranging from 600 to 1200 mg/day. Pantethine (bis-pantethine or co-enzyme pantethine) is a dimeric form of pantetheine, which is produced from pantothenic acid (vitamin B5) by the addition of cysteamine. D-Pantethine is a drug. Pantetheine is an intermediate in the production of coenzyme A by the body. In multiple clinical trials of patients with elevated cholesterol and triglycerides, total and LDL cholesterol were decreased by an average of 12\\\%, triglycerides decreased by 19\\\%, and HDL cholesterol was increased by 9\\\%. Pantethine is composed of two molecules of pantetheine linked by a bridging disulfide. Most of the literature on pantethine and lipids is 20 to 30 years old, but recent carefully controlled trials of 600 and 900 mg/d doses have shown similar statistically significant lowering of LDL cholesterol in individuals with greatly or moderately elevated levels of blood lipids. A few trials conducted in Japan tested 300 mg/day and reported decreases in total cholesterol of about 4\\\%, increases in HDL-cholesterol of 5\\\% and inconsistent results for triglycerides. Direct dose-response evidence is not available because no trial tested more than one dose. Within this dose range there is no evidence of a dose-effect relationship, i.e. changes in lipid concentrations overlapped across the range of doses. Pantethine (Bis-pantethine) or "Co-enzyme pantethine" is a dimeric form of vitamin B5, composed of two molecules of pantothenic acid linked by cysteamine bridging groups. The monomer of this compound is known as pantetheine and is an intermediate in the production of Coenzyme A by the body. Pantethine is considered the more biologically active form of vitamin B5, but is less stable than pantothenic acid and tends to decompose over time if it is not kept refrigerated, so most vitamin B5 supplements are in the form of calcium pantothenate. [HMDB] A - Alimentary tract and metabolism > A11 - Vitamins Same as: D01234 Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
Ssioriside
Ssioriside is found in fruits. Ssioriside is isolated from Prunus padus (bird cherry). Isolated from Prunus padus (bird cherry). Ssioriside is found in fruits.
Marmesin rutinoside
Marmesin rutinoside is found in herbs and spices. Marmesin rutinoside is a constituent of the roots of Murraya koenigii (curry leaf tree). Constituent of the roots of Murraya koenigii (curry leaf tree). Marmesin rutinoside is found in herbs and spices.
23-Hydroxyphysalolactone
23-Hydroxyphysalolactone is found in fruits. 23-Hydroxyphysalolactone is a constituent of Physalis peruviana (Cape gooseberry) Constituent of Physalis peruviana (Cape gooseberry). 23-Hydroxyphysalolactone is found in fruits.
Lappaol C
Lappaol c is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Lappaol c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol c can be found in burdock, which makes lappaol c a potential biomarker for the consumption of this food product.
Isolappaol C
Isolappaol c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isolappaol c can be found in burdock, which makes isolappaol c a potential biomarker for the consumption of this food product.
Arctignan A
Arctignan a is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Arctignan a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctignan a can be found in burdock, which makes arctignan a a potential biomarker for the consumption of this food product.
Lappaol E
Lappaol e is a member of the class of compounds known as dibenzylbutyrolactone lignans. Dibenzylbutyrolactone lignans are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. Lappaol e is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol e can be found in burdock, which makes lappaol e a potential biomarker for the consumption of this food product.
23-Hydroxyphysalolactone
methyl (4aS,5R,7S,7aS)-7-hydroxy-5-[3-(4-hydroxyphenyl)propanoyloxy]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Guajacylglycerin-beta-pinoresinol-aether|Guajacylglycerin-epipinoresinol-aether
7-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]demethylsuberosin
3-hydroxy-5,6-epoxy-beta-ionone 3-O-tetra-O-acetyl-beta-D-glucopyranoside
grasshopper ketone 3-O-tetra-O-acetyl-beta-D-glucopyranoside
(2S)-2-<2-(6-methoxy)-naphthyl>propyonyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Me glycoside,3-nenzyl,tetra-Ac-beta-Pyranose-4-O-alpha-D-Xylopyranosyl-D-xylose
(7S,8R)-4,7,9,9-tetrahydroxy-3,3-dimethoxy-7-oxo-8-4-oxyneolignan-4-O-beta-D-glucopyranoside|arctiinoside A
3beta-benzoyloxy-5alpha,7beta-diacetoxy-15beta-hydroxyjatropha-6(17),11E-diene-9,14-dione
1-O-methacryl-28-oxosalannic acid methyl ester|3-O-deacetyl-4-demethyl-28-oxosalannin
4-(O-beta-D-glucopyranosyl)-7,9-dihydroxy-3,3,5-trimethoxy-8,4-oxy-9-norneolignan-7-one
(1S*,2R*,3S*,6S*,7R*,8R*,9S*,10S*,11R*,13Z)-3,9-diacetoxy-6-chloro-8-hydroxy-2-propionyloxybriara-5(16),13-diene-12,18-dione|3, 9-Di-Ac, 2-propanoyl-6-Chloro-2, 3, 8, 9-tetrahydroxy-12-oxo-5(16), 13-briaradien-18, 7-olide
(-)-massoniresinol 4-O-beta-D-glucopyranoside|(-)-massoniresinol 4-O-beta-D-glucopyranoside|(-)-Massoniresinol 4-O-??-D-glucopyranoside
(3aS,3bR,3cR,4aS,5R,5aR,8aS,8bS,9S,10S,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(1-oxopropoxy)-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one|yuanhuaoate A
2,3-diepiingol 7,12-diacetate 8-benzoate|7,12-O-diacetyl-8-O-benxoil-2,3-diepiingol
(-)-(7S,8R,7E)-4,7,9,3,9-pentahydroxy-3,5-dimethoxy-8-4-oxyneolign-7-ene-3-O-beta-D-glucopyranoside
3,4-dihydro-3-oxo-actinidol-O-beta-D-tetraacetylglucopyranoside
(2S,4S)-7-hydroxy-5,8-dimethoxyflavan-(4->6)-5-hydroxy-7-methoxy-flavanone|sarcandrone D
13(S*)-1beta-benzoyloxy-6alpha,7beta-diacetoxy-8beta,13-epoxy-3-neocleroden-15,16-olide|scutebata D
rel-1beta-(4,6-dihydroxy-2-methoxy)benzoyl-2alpha-(2,6-dimethoxy-4-hydroxy)benzoyl-(3beta,4alpha)-diphenylcyclobutane|rel-1??-(4,6-Dihydroxy-2-methoxy)-benzoyl-rel-2??-(2,6-dimethoxy-4-hydroxy)-benzoyl-rel-(3??,4??)-diphenylcyclobutane
(2S,4S)-7-hydroxy-5,8-dimethoxyflavan-(4->8)-7-hydroxy-5-methoxy-flavanone|sarcandrone C
8-benzyl-6-[6-(6-ethyl-7-methyl-5,8-dihydro-2-naphthalenyl)-1-oxo-3,4-dihydro-1H-isochromen-8-yl]-3,4-dihydro-1H-isochromen-1-one|salvadorin
Arg Asn His Glu
Asn Arg His Glu
3,7-O-diacetyl-5-O-benzoyl-13,17-oxy-14-oxopremyrsinol
C26H34O13_Methyl (4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-hydroxy-5-{[3-(4-hydroxyphenyl)propanoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
D-Pantethine
Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
Pantethine
A - Alimentary tract and metabolism > A11 - Vitamins Same as: D01234 Pantethine (D-Pantethine) is the dimer form of pantothenic acid, an intermediate in the production of coenzyme A, and can be used as a dietary supplement to study acne and improve blood cholesterol.
methyl (4aS,5R,7S,7aS)-7-hydroxy-5-[3-(4-hydroxyphenyl)propanoyloxy]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate_major
Cys Asn Arg Tyr
Cys Asn Tyr Arg
Cys Arg Asn Tyr
Cys Arg Tyr Asn
Cys Tyr Asn Arg
Cys Tyr Arg Asn
Asp Glu Glu Tyr
Asp Glu Tyr Glu
Asp Phe His His
Asp His Phe His
Asp His His Phe
Asp His Gln Arg
Asp His Arg Gln
Asp Gln His Arg
Asp Gln Arg His
Asp Arg His Gln
Asp Tyr Glu Glu
Glu Asp Glu Tyr
Glu Asp Tyr Glu
Glu Glu Asp Tyr
Glu Glu Phe Met
Glu Glu Met Phe
Glu Glu Tyr Asp
Glu Phe Glu Met
Glu Phe Met Glu
Glu Phe Pro Tyr
Glu Phe Tyr Pro
Glu Ile Met Tyr
Glu Ile Tyr Met
Glu Leu Met Tyr
Glu Leu Tyr Met
Glu Met Glu Phe
Glu Met Phe Glu
Glu Met Ile Tyr
Glu Met Leu Tyr
Glu Met Tyr Ile
Glu Met Tyr Leu
Glu Pro Phe Tyr
Glu Pro Tyr Phe
Glu Tyr Asp Glu
Glu Tyr Glu Asp
Glu Tyr Phe Pro
Glu Tyr Ile Met
Glu Tyr Leu Met
Glu Tyr Met Ile
Glu Tyr Met Leu
Glu Tyr Pro Phe
Phe Asp His His
Phe Glu Glu Met
Phe Glu Met Glu
Phe Glu Pro Tyr
Phe Glu Tyr Pro
Phe Phe Asn Gln
Phe Phe Gln Asn
Phe His Asp His
Phe His His Asp
Phe Met Glu Glu
Phe Asn Phe Gln
Phe Asn Gln Phe
Phe Pro Glu Tyr
Phe Pro Tyr Glu
Phe Gln Phe Asn
Phe Gln Asn Phe
Phe Tyr Glu Pro
Phe Tyr Pro Glu
His Asp Phe His
His Asp His Phe
His Phe Asp His
His Phe His Asp
His His Asp Phe
His His Phe Asp
His His Met Met
His Met His Met
His Met Met His
Ile Glu Met Tyr
Ile Glu Tyr Met
Ile Met Glu Tyr
Ile Met Tyr Glu
Ile Tyr Glu Met
Ile Tyr Met Glu
Lys Met Asn Tyr
Lys Met Tyr Asn
Lys Asn Met Tyr
Lys Asn Tyr Met
Lys Tyr Met Asn
Lys Tyr Asn Met
Leu Glu Met Tyr
Leu Glu Tyr Met
Leu Met Glu Tyr
Leu Met Tyr Glu
Leu Tyr Glu Met
Leu Tyr Met Glu
Met Glu Glu Phe
Met Glu Phe Glu
Met Glu Ile Tyr
Met Glu Leu Tyr
Met Glu Tyr Ile
Met Glu Tyr Leu
Met Phe Glu Glu
Met His His Met
Met His Met His
Met Ile Glu Tyr
Met Ile Tyr Glu
Met Lys Asn Tyr
Met Lys Tyr Asn
Met Leu Glu Tyr
Met Leu Tyr Glu
Met Met His His
Met Asn Lys Tyr
Met Asn Gln Tyr
Met Asn Tyr Lys
Met Asn Tyr Gln
Met Gln Asn Tyr
Met Gln Tyr Asn
Met Tyr Glu Ile
Met Tyr Glu Leu
Met Tyr Ile Glu
Met Tyr Lys Asn
Met Tyr Leu Glu
Met Tyr Asn Lys
Met Tyr Asn Gln
Met Tyr Gln Asn
Asn Cys Arg Tyr
Asn Cys Tyr Arg
Asn Phe Phe Gln
Asn Phe Gln Phe
Asn Lys Met Tyr
Asn Lys Tyr Met
Asn Met Lys Tyr
Asn Met Gln Tyr
Asn Met Tyr Lys
Asn Met Tyr Gln
Asn Gln Phe Phe
Asn Gln Met Tyr
Asn Gln Tyr Met
Asn Arg Cys Tyr
Asn Arg Tyr Cys
Asn Tyr Cys Arg
Asn Tyr Lys Met
Asn Tyr Met Lys
Asn Tyr Met Gln
Asn Tyr Gln Met
Asn Tyr Arg Cys
Pro Glu Phe Tyr
Pro Glu Tyr Phe
Pro Phe Glu Tyr
Pro Phe Tyr Glu
Pro Tyr Glu Phe
Pro Tyr Phe Glu
Gln Phe Phe Asn
Gln Phe Asn Phe
Gln Met Asn Tyr
Gln Met Tyr Asn
Gln Asn Phe Phe
Gln Asn Met Tyr
Gln Asn Tyr Met
Gln Tyr Met Asn
Gln Tyr Asn Met
Arg Cys Asn Tyr
Arg Cys Tyr Asn
Arg Asn Cys Tyr
Arg Asn Tyr Cys
Arg Tyr Cys Asn
Arg Tyr Asn Cys
Tyr Cys Asn Arg
Tyr Cys Arg Asn
Tyr Asp Glu Glu
Tyr Glu Asp Glu
Tyr Glu Glu Asp
Tyr Glu Phe Pro
Tyr Glu Ile Met
Tyr Glu Leu Met
Tyr Glu Met Ile
Tyr Glu Met Leu
Tyr Glu Pro Phe
Tyr Phe Glu Pro
Tyr Phe Pro Glu
Tyr Ile Glu Met
Tyr Ile Met Glu
Tyr Lys Met Asn
Tyr Lys Asn Met
Tyr Leu Glu Met
Tyr Leu Met Glu
Tyr Met Glu Ile
Tyr Met Glu Leu
Tyr Met Ile Glu
Tyr Met Lys Asn
Tyr Met Leu Glu
Tyr Met Asn Lys
Tyr Met Asn Gln
Tyr Met Gln Asn
Tyr Asn Cys Arg
Tyr Asn Lys Met
Tyr Asn Met Lys
Tyr Asn Met Gln
Tyr Asn Gln Met
Tyr Asn Arg Cys
Tyr Pro Glu Phe
Tyr Pro Phe Glu
Tyr Gln Met Asn
Tyr Gln Asn Met
Tyr Arg Cys Asn
Tyr Arg Asn Cys
Marmesin rutinoside
(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate,4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
5-O-(4,4-dimethoxytrityl)-2-deoxyinosine
DMT-dI (5'-O-DMT-dI) is a deoxyuridine which can be used in the preparation of convertible nucleoside derivatives[1].
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-3-(4-methylphenyl)naphthalen-1-yl]-3-(4-methylphenyl)naphthalene
4-METHYLPHENYL2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-SS-D-GLUCOPYRANOSIDE
(R,S)-Ambrisentan-acyl-beta-D-glucuronide min. 95\\%
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-(4-methylphenyl)naphthalen-1-yl]-6-(4-methylphenyl)naphthalene
Tozasertib lactate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Bis(N-pantothenylamidoethyl) disulfide
Desmethyldescarbamoylnovobiocin(1-)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of desmethyldescarbamoylnovobiocin.
2-amino-N-[[(1R,2S,10R,12S,13S)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]propanamide
(4R)-4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-one
antimycin A9
A benzamide obtained by formal condensation of the carboxy group of 3-formamido-2-hydroxybenzoic acid with the amino group of 3-amino-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl phenylacetate. It is a microbial metabolite isolated from Streptomyces.
[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
2-acetamido-6-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-2-deoxy-D-galactopyranose
1-(2-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
2-[[[(4R,5S)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4S,5R)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[[[(4S,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
alpha-9-Ac-NeuNAc-(2->6)-GalNAc
An amino disaccharide epitope consisting of an N-acetylglucosamine having an N-acetyl-9-O-acetylneuraminic acid attached via an alpha-(2->6)-linkage
(2r)-5-hydroxy-6-[(2s,4s)-7-hydroxy-5,8-dimethoxy-2-phenyl-3,4-dihydro-2h-1-benzopyran-4-yl]-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2s,3r,4r,5r,6s)-2-{4-[(1r,2s)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy}-6-methyloxane-3,4,5-triol
ethyl 4-[(1s,7s,13r,15r)-3-hydroxy-5-oxo-7-phenyl-13-[(1e)-2-phenylethenyl]-8,12,14-trioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate
(2r,3r,4s,5r)-2-[(2s,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
1,3-bis(acetyloxy)-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 4-hydroxybenzoate
9,16,21,22-tetrahydroxy-5,9-bis(hydroxymethyl)-13,20,25-trimethyl-3,23-dioxanonacyclo[14.10.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁷.0²²,²⁶]heptacosa-1(27),5,25-triene-4,24-dione
(2s)-2-({[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl](hydroxy)methylidene}amino)-5-hydroxy-4-methylpentanoic acid
(2s,10r,11r)-10-(3,4-dimethoxyphenyl)-2-hydroxy-4,6-dimethoxy-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.0²,¹⁰.0³,⁸.0¹⁴,¹⁸]nonadeca-1(12),3,5,7,18-pentaen-13-one
methyl 2,12,14-tris(acetyloxy)-3,16-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-ene-9-carboxylate
(2r)-5-{n-hydroxy-1-[(4s,5r)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}-2-({hydroxy[(4s,5r)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]methylidene}amino)pentanoic acid
({[(2s,3r,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl](methyl)amino}oxy)methyl acetate
(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2s)-2-(6-methoxynaphthalen-2-yl)propanoate
13-{15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
4-(acetyloxy)-7-{[4-(acetyloxy)-6-ethyl-5-methyl-2-oxopyran-3-yl]methyl}-5-(2-methylpropanoyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl acetate
(1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,13-bis(acetyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate
(2s,3r,4s,5s,6r)-2-(2-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-5-[(1e)-3-hydroxyprop-1-en-1-yl]-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one
(3r,4r)-3-[(4-{[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-{[(2s,3r,4s,5r,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}chromen-4-one
methyl (1r,2s,5s,7s,8s,9s,10s)-5-(furan-3-yl)-7,9-dimethyl-3-oxo-8-(3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-4,11-dioxatricyclo[7.2.1.0²,⁷]dodecane-10-carboxylate
n-{7-butyl-4,9-dimethyl-2,6-dioxo-8-[(2-phenylacetyl)oxy]-1,5-dioxonan-3-yl}-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
(3r,4r)-4-[(4-{[(1r,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
3,12-diacetyl-8-benzoylingol
{"Ingredient_id": "HBIN006919","Ingredient_name": "3,12-diacetyl-8-benzoylingol","Alias": "NA","Ingredient_formula": "C31H38O9","Ingredient_Smile": "CC1CC23C(=O)C(C(C4C(C4(C)C)C(C(C(=CC2(C1OC(=O)C)O3)C)O)OC(=O)C5=CC=CC=C5)OC(=O)C)C","Ingredient_weight": "554.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5324","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101177388","DrugBank_id": "NA"}
7-isovaleroylcycloseverinolide
{"Ingredient_id": "HBIN013303","Ingredient_name": "7-isovaleroylcycloseverinolide","Alias": "NA","Ingredient_formula": "C31H38O9","Ingredient_Smile": "CC(C)CC(=O)OC1C(C23C(=O)C=CC2(COC3(C)C)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)O","Ingredient_weight": "554.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11756","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "133562252","DrugBank_id": "NA"}
arctignan a
{"Ingredient_id": "HBIN016613","Ingredient_name": "arctignan a","Alias": "NA","Ingredient_formula": "C30H34O10","Ingredient_Smile": "COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)O","Ingredient_weight": "554.59","OB_score": "NA","CAS_id": "155661-08-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6705","PubChem_id": "73425485","DrugBank_id": "NA"}