Exact Mass: 530.201269
Exact Mass Matches: 530.201269
Found 500 metabolites which its exact mass value is equals to given mass value 530.201269
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Strictosidine
D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids Annotation level-3 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.677 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.675 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.666
Gomisin D
Gomisin D is a natural product found in Schisandra chinensis with data available. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1]. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1].
Artonin Q
Artonin Q is found in fruits. Artonin Q is a constituent of the bark of Artocarpus heterophyllus (jackfruit). Constituent of the bark of Artocarpus heterophyllus (jackfruit). Artonin Q is found in fruits.
7-Acetoxy-6-hydroxylimonin
7-Acetoxy-6-hydroxylimonin is found in herbs and spices. 7-Acetoxy-6-hydroxylimonin is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). 7-Acetoxy-6-hydroxylimonin is found in herbs and spices.
N-Acetyl-Asp-Glu-Val-Asp-CHO
Gomisin D
Icariside I
Macrocycle
Peliglitazar
PA(2:0/PGJ2)
PA(2:0/PGJ2) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/PGJ2), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin J2 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(PGJ2/2:0)
PA(PGJ2/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(PGJ2/2:0), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
curcumin monoglucoside
Curcumin monoglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Curcumin monoglucoside can be found in a number of food items such as acerola, other bread, shallot, and jujube, which makes curcumin monoglucoside a potential biomarker for the consumption of these food products.
strictosidine
Strictosidine is a member of the class of compounds known as terpene glycosides. Terpene glycosides are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Strictosidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Strictosidine can be found in a number of food items such as okra, japanese persimmon, hedge mustard, and pepper (spice), which makes strictosidine a potential biomarker for the consumption of these food products. Strictosidine is formed by the Pictet‚ÄìSpengler reaction condensation of tryptamine with secologanin by the enzyme strictosidine synthase. Thousands of strictosidine derivatives are sometimes referred to by the broad phrase of monoterpene indole alkaloids. Strictosidine is the base molecule for numerous pharmaceutically valuable metabolites including quinine, camptothecin, ajmalicine, serpentine, vinblastine and vincristine . Strictosidine is a member of the class of compounds known as terpene glycosides. Terpene glycosides are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Strictosidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Strictosidine can be found in a number of food items such as okra, japanese persimmon, hedge mustard, and pepper (spice), which makes strictosidine a potential biomarker for the consumption of these food products. Strictosidine is formed by the Pictet–Spengler reaction condensation of tryptamine with secologanin by the enzyme strictosidine synthase. Thousands of strictosidine derivatives are sometimes referred to by the broad phrase of monoterpene indole alkaloids. Strictosidine is the base molecule for numerous pharmaceutically valuable metabolites including quinine, camptothecin, ajmalicine, serpentine, vinblastine and vincristine .
Icariin I
Icariside I is a natural product found in Epimedium pubescens, Epimedium grandiflorum, and other organisms with data available. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis.
Gomisin
Gomisin D is a natural product found in Schisandra chinensis with data available. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1]. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1].
Icarisid
Icariside I is a natural product found in Epimedium pubescens, Epimedium grandiflorum, and other organisms with data available. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis.
Isoswertisin 2-O-(2-methylbutyrate)
Caohuoside C
Artonin Q
Eriosemaone C
An extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2, 3, and 6, a 2,4-dihyroxyphenyl group at position 5, a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7.
Icariside I
Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis.
2,2-di-(2-phenylethyl)-8,6-dihydroxy-5,5-bichromone
(2R,3R),(2S,3S)-2,3-divanillyl-1,4-butandiol tetraacetate|Secoisolarcinoltetraacetat|Tetra-Ac-Secoisolariciresinol
2,2-Di-(2-phenylethyl)-8,6-dihydroxy-5,5-bichromone (AH11)|6,8-Dihydroxy-2,2-bis(2-phenylethyl)[5,5-bi-4H-1-benzopyranl]-4,4-dione
Taiwanschirin D
An organic heterotetracyclic compound isolated from the stems of Kadsura matsudai.
{6-O-[(4-oxo-4H-pyran-3-yloxy)-O-beta?D-glucopyranosyl]}-4-hydroxy-3,5-bis(3-methyl-2-butenyl)benzoate
(+)-(2E)-1-[(6aSR,12aRS)-9-acetyl-6a,6,7,12a-tetrahydro-1,3,8,10-tetrahydroxy-2,6,6,11-tetramethyl[1]benzopyrano[4,3-b][1]benzopyran-4-yl]-3-phenylprop-2-en-1-onekamalachalcone C
(alphaE,1S,6R,7S,8aS)-6-ethenyl-1,2,2,3,6,7,8,8a-octahydro-alpha-(methoxymethylene)-2-oxospiro[3H-indole-3,1(5H)-indolizine]-7-acetic acid beta-D-glucopyranosyl ester|22-O-beta-D-glucopyranosyl isocorynoxeinic acid|22-O-demetyl-22-O-beta-D-glucopyranosylisocorynoxeine
Phe Ser Tyr Asp
Ala Asp Tyr Tyr
Ala Phe Met Tyr
Ala Phe Tyr Met
Ala Met Phe Tyr
Ala Met Tyr Phe
Ala Tyr Asp Tyr
Ala Tyr Phe Met
Ala Tyr Met Phe
Ala Tyr Tyr Asp
Cys Asp Phe Phe
Cys Phe Asp Phe
Cys Phe Phe Asp
Cys Phe Val Tyr
Cys Phe Tyr Val
Cys Val Phe Tyr
Cys Val Tyr Phe
Cys Tyr Phe Val
Cys Tyr Val Phe
Asp Ala Tyr Tyr
Asp Cys Phe Phe
Asp Glu His Met
Asp Glu Met His
Asp Phe Cys Phe
Asp Phe Phe Cys
Asp Phe Ser Tyr
Asp Phe Tyr Ser
Asp His Glu Met
Asp His Met Glu
Asp His Pro Tyr
Asp His Tyr Pro
Asp Met Glu His
Asp Met His Glu
Asp Asn Pro Trp
Asp Asn Trp Pro
Asp Pro His Tyr
Asp Pro Asn Trp
Asp Pro Trp Asn
Asp Pro Tyr His
Asp Ser Phe Tyr
Asp Ser Tyr Phe
Asp Trp Asn Pro
Asp Trp Pro Asn
Asp Tyr Ala Tyr
Asp Tyr Phe Ser
Asp Tyr His Pro
Asp Tyr Pro His
Asp Tyr Ser Phe
Asp Tyr Tyr Ala
Glu Asp His Met
Glu Asp Met His
Glu Gly Tyr Tyr
Glu His Asp Met
Glu His Met Asp
Glu Met Asp His
Glu Met His Asp
Glu Tyr Gly Tyr
Glu Tyr Tyr Gly
Phe Ala Met Tyr
Phe Ala Tyr Met
Phe Cys Asp Phe
Phe Cys Phe Asp
Phe Cys Val Tyr
Phe Cys Tyr Val
Phe Asp Cys Phe
Phe Asp Phe Cys
Phe Asp Ser Tyr
Phe Asp Tyr Ser
Phe Phe Cys Asp
Phe Phe Asp Cys
Phe Phe Met Ser
Phe Phe Ser Met
Phe His Met Pro
Phe His Asn Asn
Phe His Pro Met
Phe Met Ala Tyr
Phe Met Phe Ser
Phe Met His Pro
Phe Met Pro His
Phe Met Ser Phe
Phe Met Tyr Ala
Phe Asn His Asn
Phe Asn Asn His
Phe Pro His Met
Phe Pro Met His
Phe Ser Asp Tyr
Phe Ser Phe Met
Phe Ser Met Phe
Phe Val Cys Tyr
Phe Val Tyr Cys
Phe Tyr Ala Met
Phe Tyr Cys Val
Phe Tyr Asp Ser
Phe Tyr Met Ala
Phe Tyr Ser Asp
Phe Tyr Val Cys
Gly Glu Tyr Tyr
Gly Tyr Glu Tyr
Gly Tyr Tyr Glu
His Asp Glu Met
His Asp Met Glu
His Asp Pro Tyr
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His Glu Asp Met
His Glu Met Asp
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His Phe Pro Met
His Met Asp Glu
His Met Glu Asp
His Met Phe Pro
His Asn Phe Asn
His Asn Asn Phe
His Pro Asp Tyr
His Pro Tyr Asp
His Tyr Asp Pro
His Tyr Pro Asp
Met Ala Phe Tyr
Met Ala Tyr Phe
Met Asp Glu His
Met Asp His Glu
Met Glu Asp His
Met Glu His Asp
Met Phe Ala Tyr
Met Phe Phe Ser
Met Phe Ser Phe
Met Phe Tyr Ala
Met His Asp Glu
Met His Glu Asp
Met Met Ser Tyr
C22H34N4O7S2 (530.1868814000001)
Met Met Tyr Ser
C22H34N4O7S2 (530.1868814000001)
Met Ser Phe Phe
Met Ser Met Tyr
C22H34N4O7S2 (530.1868814000001)
Met Ser Tyr Met
C22H34N4O7S2 (530.1868814000001)
Met Tyr Ala Phe
Met Tyr Phe Ala
Met Tyr Met Ser
C22H34N4O7S2 (530.1868814000001)
Met Tyr Ser Met
C22H34N4O7S2 (530.1868814000001)
Asn Asp Pro Trp
Asn Asp Trp Pro
Asn Phe His Asn
Asn Phe Asn His
Asn His Phe Asn
Asn His Asn Phe
Asn Asn Phe His
Asn Asn His Phe
Asn Pro Asp Trp
Asn Pro Trp Asp
Asn Trp Asp Pro
Asn Trp Pro Asp
Pro Asp His Tyr
Pro Asp Asn Trp
Pro Asp Trp Asn
Pro Asp Tyr His
Pro His Asp Tyr
Pro His Tyr Asp
Pro Asn Asp Trp
Pro Asn Trp Asp
Pro Trp Asp Asn
Pro Trp Asn Asp
Pro Tyr Asp His
Pro Tyr His Asp
Ser Asp Phe Tyr
Ser Asp Tyr Phe
Ser Phe Asp Tyr
Ser Phe Phe Met
Ser Phe Met Phe
Ser Phe Tyr Asp
Ser Met Phe Phe
Ser Met Met Tyr
C22H34N4O7S2 (530.1868814000001)
Ser Met Tyr Met
C22H34N4O7S2 (530.1868814000001)
Ser Tyr Asp Phe
Ser Tyr Phe Asp
Ser Tyr Met Met
C22H34N4O7S2 (530.1868814000001)
Val Cys Phe Tyr
Val Cys Tyr Phe
Val Phe Cys Tyr
Val Phe Tyr Cys
Val Tyr Cys Phe
Val Tyr Phe Cys
Trp Asp Asn Pro
Trp Asp Pro Asn
Trp Asn Asp Pro
Trp Asn Pro Asp
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Trp Pro Asn Asp
Tyr Ala Asp Tyr
Tyr Ala Phe Met
Tyr Ala Met Phe
Tyr Ala Tyr Asp
Tyr Cys Phe Val
Tyr Cys Val Phe
Tyr Asp Ala Tyr
Tyr Asp Phe Ser
Tyr Asp His Pro
Tyr Asp Pro His
Tyr Asp Ser Phe
Tyr Asp Tyr Ala
Tyr Glu Gly Tyr
Tyr Glu Tyr Gly
Tyr Phe Ala Met
Tyr Phe Cys Val
Tyr Phe Asp Ser
Tyr Phe Met Ala
Tyr Phe Ser Asp
Tyr Phe Val Cys
Tyr Gly Glu Tyr
Tyr Gly Tyr Glu
Tyr His Asp Pro
Tyr His Pro Asp
Tyr Met Ala Phe
Tyr Met Phe Ala
Tyr Met Met Ser
C22H34N4O7S2 (530.1868814000001)
Tyr Met Ser Met
C22H34N4O7S2 (530.1868814000001)
Tyr Pro Asp His
Tyr Pro His Asp
Tyr Ser Asp Phe
Tyr Ser Phe Asp
Tyr Ser Met Met
C22H34N4O7S2 (530.1868814000001)
Tyr Val Cys Phe
Tyr Val Phe Cys
Tyr Tyr Ala Asp
Tyr Tyr Asp Ala
Tyr Tyr Glu Gly
Tyr Tyr Gly Glu
7-Acetoxy-6-hydroxylimonin
SODIUM 2-(DICYCLOHEXYLPHOSPHINO)-2,6-DIMETHOXY-[1,1-BIPHENYL]-3-SULFONATE HYDRATE
2-(chloromethyl)oxirane,formaldehyde,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-methylprop-2-enoic acid,phenol
6-(diethylamino)-2-[[3-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9-[9H]xanthene]-3-one
tributyl-[5-(1,3-dioxolan-2-yl)-4-hexylthiophen-2-yl]stannane
AC480 (BMS-599626)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
benzyl 4-[(4-chlorophenyl)methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]piperazine-1-carboxylate
1-(5-O-(DIMETHOXYTRITYL)-BETA-D-2-DEOXYRIBOFURANOSYL)-3-NITROPYRROLE
5-O-(4,4-Dimethoxytrityl)-2-deoxyuridine
5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyuridine (5'-O-DMT-dU) is a competitive inhibitor of E. coli dUTP nucleotidohydrolase (dUTPase), with the Ki higher than 1000 μM. 5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyuridine can be used in machine-assisted DNA synthesis by synthesizing nucleosidic phosphoramidite blocks[1][2].
Radotinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
2-DICYCLOHEXYLPHOSPHINO-2,6-DIMETHOXY-3-SULFONATO-1,1-BIPHENYL HYDRATE SODIUM SALT
[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate
13-Dihydrodaunorubicin(1+)
An organic cation that is the conjugate acid of 13-dihydrodaunorubicin, obtained by protonation of the primary amino function.
methyl (2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
AMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5-phosphoramidate
(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hepta-1,4,6-trien-3-one
Ananolignan G
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Klymollin B
An eunicellin diterpenoid isolated from the soft coral Klyxum molle. It is the C-7 epimer of Klymollin A.
1-(3-Carboxypropyl)-9-(dimethylamino)-2,2,4,11,11-pentamethyl-2,11-dihydronaphtho[2,3-g]quinolinium perchlorate
C28H35ClN2O6 (530.2183520000001)
N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide
(2S)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
1-(4-chlorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propanoyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-chlorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propanoyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(2R)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
1-(4-chlorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-chlorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-chlorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(2S)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
1-(4-chlorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-chlorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
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-cyclohexylacetamide
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-cyclohexylacetamide
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-cyclohexylacetamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
(2R,4S,5R,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
[2-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] hexanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] heptanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] nonanoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
methyl 3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
(2s,3r,4s,5s,6r)-2-{[4-(2h-1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methylnaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(8r,10s)-6,8,11-trihydroxy-1-methoxy-2,8-dimethyl-10-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-9,10-dihydro-7h-tetracene-5,12-dione
11'-(furan-3-yl)-6',8'-dihydroxy-2,2,2',6',10'-pentamethyl-6,13'-dioxo-12',15'-dioxaspiro[pyran-3,5'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan]-3'-yl acetate
(1'r,2s,3'r,8'r,19'e,21'z,25'r,26's)-14',26'-dimethyl-11',18',23'-trioxo-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-5'-carboxylic acid
(2r)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[2-(acetyloxy)-5-[3-(acetyloxy)propyl]-3-methoxyphenyl]propyl acetate
(1s,15s,16r,17r,21r)-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18,23-dioxa-3,13-diazahexacyclo[13.7.1.0¹,¹³.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]tricosa-2(10),4,6,8,19-pentaene-20-carboxylic acid
(4r,5z,7s,8r,9s)-4-(2-methoxy-2-oxoacetyl)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.0⁴,¹⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-9-yl hexanoate
(1s,2r,6r,7r,10r,11s,16s,18s,19r,20r)-6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate
(8r,9s,10r,11r)-8-(acetyloxy)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl propanoate
methyl (6s)-5-ethenyl-4-[(1s)-1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-ylmethyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
5-[(2r,3r)-5-methoxy-3-(4-methoxyphenyl)-7-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2,3-triol
1-(3-{2,2-dimethyl-3,5'-dioxo-1,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl}-4-oxoquinazolin-2-yl)-2-methylpropyl acetate
C29H30N4O6 (530.2165239999999)
methyl 1-(chloromethyl)-2-hydroxy-8-{[2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-5-oxo-9-(sec-butoxy)-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate
2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone (ah11)
{"Ingredient_id": "HBIN003692","Ingredient_name": "2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone (ah11)","Alias": "2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone(ah11); 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone (ah11); 8-hydroxy-5-(6-hydroxy-4-oxo-2-phenethylchromen-5-yl)-2-phenethylchromen-4-one; AC1NSUX5; 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone(ah11)","Ingredient_formula": "C34H26O6","Ingredient_Smile": "C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3C4=C5C(=O)C=C(OC5=C(C=C4)O)CCC6=CC=CC=C6)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15194;SMIT18977","TCMID_id": "6485;25822","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8r,10s)-10-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-1,8,11-trihydroxy-3-methoxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
1-(2-acetyl-1,3,6,8-tetrahydroxy-4,7,11,11-tetramethyl-11a,12-dihydro-5ah-5,10-dioxatetraphen-9-yl)-3-phenylprop-2-en-1-one
(1r,2r,6s,7r,9s)-4,13-bis[(2e,4e)-1,6-dihydroxyhexa-2,4-dien-1-ylidene]-6,7,12-trihydroxy-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-11-ene-3,10-dione
(2s,3r,4s,5s,6r)-2-(2-{[(1s,6s)-1,6-dihydroxycyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl benzoate
methyl 6-[(2r,3r)-3-[6-(methoxycarbonyl)phenazin-1-yl]butan-2-yl]phenazine-1-carboxylate
5-ethenyl-4-({2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylic acid
6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate
(1r,2r,5s,6s,9s,11r,12s,13s,14r,17r,21s,22s)-6-(furan-3-yl)-13-hydroxy-1,5,12,17-tetramethyl-8,19-dioxo-7,10,15,18-tetraoxahexacyclo[12.7.1.0²,¹².0⁵,¹¹.0⁹,¹¹.0¹⁷,²²]docosan-21-yl acetate
4-{[(2s)-3-hydroxy-2-{[hydroxy({2-hydroxy-3-[(hydroxymethylidene)amino]phenyl})methylidene]amino}butanoyl]oxy}-2-methyl-3-[(2-phenylacetyl)oxy]pentanoic acid
methyl 7,14-dihydroxy-18,18-dimethyl-21-(3-methylbut-2-en-1-yl)-5,12-dioxo-9-(prop-1-en-2-yl)-2,19-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),16-heptaene-7-carboxylate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-{6'-ethenyl-2-hydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate
n-(5-hydroxy-5-{8-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]octa-1,3,5,7-tetraen-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)deca-2,4,6,8-tetraenimidic acid
(3s,4s)-3-{[4-(acetyloxy)-3,5-dimethoxyphenyl]methyl}-4-{[4-(acetyloxy)-3-methoxyphenyl]methyl}-2-oxooxolan-3-yl acetate
(1s,2r,4s,7r,8s,11r,12r,18r,20s)-7-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-20-yl acetate
methyl (2z)-2-[(2s,3s,4s,12bs)-3-ethenyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate
(1r)-1-{3-[(4'r,9s,9as)-2,2-dimethyl-3,5'-dioxo-1,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate
C29H30N4O6 (530.2165239999999)