Exact Mass: 530.2416744
Exact Mass Matches: 530.2416744
Found 500 metabolites which its exact mass value is equals to given mass value 530.2416744
,
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
4-Hydroxyprotoasukamycin
A tertiary alcohol that is protoasukamycin in which the 2,4-disubstituted phenol moiety has been oxidised to give the corresponding 2,4-disubstituted 4-hydroxycyclohexa-2,5-dienone. It is a precursor in the biosynthesis of asukamycin.
(8Z)-8-[2-Methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-3-ylidene]-1,3-di(prop-2-enyl)purine-2,6-dione
Myotoxin A
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).
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 .
Roridin L 2
(1S,4aS,5aS,7R,9S,9aS,10S,11aS,13R)-7-(acetyloxy)-1-(furan-3-yl)dodecahydro-8,8,9a,11a,13-pentamethyl-3,12-dioxo-4a,10-ethano-4aH-pyrano[4,3-b][1]benzoxepin-9-acetic acid methyl ester|cipadesin G
3beta-Acetoxy-2-hydroxy-1-oxo-meliacsaeure-methylester|3beta-Acetoxy-2-hydroxy-1-oxomeliacsaeuremethylester
Methyl-3beta-acetoxy-6-hydroxy-1-oxo-meliac-14,15-enat
[(2S,3R,4R)-4-(3,4,5-trimethoxy-benzyl)-2-(3,4,5-trimethoxy-phenyl)tetrahydrofuran-3-yl]methyl (2Z)-2-methylbut-2-en-oate|[(2S,3R,4R)-4-(3,4,5-trimethoxy-benzyl)-2-(3,4,5-trimethoxy-phenyl)tetrahydrofuran-3-yl]methyl-(2Z)-2-methylbut-2-en-oate|[(2S,3R,4R)-4-(3,4,5-trimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]-methyl (2Z)-2-methylbut-2-en-oate
5,6-dehydro-calotropin|5,6-Dehydrocalotropin|5,6-didehydrocalotropin
1,3,5-trihydroxy-7-methoxy-2-(3-methyl-4-hydroxy-2-butenyl)-6-(3,7-dihydroxy-3,7-dimethyloctyl)xanthone|cowaxanthone F
(29S)-19,29-epoxy-29-O-methyl-1a,3a,7a,29-tetrahydroxymeliacane-11,15-dione-3-acetate|12-dehydroneoazedarachin D
14alpha,15beta-diacetoxy-3alpha,8alpha-disenecioyloxy-14beta,15alpha-epoxy-alpha-isocedrene
(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
6-deoxy-3-deoxo-3beta-acetoxy-khayanone|xyloccensin N
Val His Phe Glu
C25H34N6O7 (530.2488854000001)
Angeloylgomisin Q
Angeloylgomisin Q is a natural product found in Schisandra lancifolia with data available. See also: Schisandra chinensis fruit (part of).
C25H38O12_(1R,2R,3R,3aS,5aS,6R,7R,10R,10aR,10cR)-1,2,6,7-Tetrahydroxy-3,7,10a,10c-tetramethyl-4-oxo-2,3,3a,4,5a,6,6a,7,10,10a,10b,10c-dodecahydro-1H-phenanthro[10,1-bc]furan-10-yl beta-D-glucopyranoside
(2R,3R,6R,8R,9S,12S,13R,14R,15R,16R)-6,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-4-en-11-one
(2R,3R,6R,8R,9S,12S,13R,14R,15R,16R)-6,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-4-en-11-one_major
(2R,3R,6R,8R,9S,12S,13R,14R,15R,16R)-6,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.6.1.0²,?.0¹²,¹?]hexadec-4-en-11-one
Ala Phe Phe Phe
Ala Met Phe Tyr
Ala Met Tyr Phe
Ala Tyr Phe Met
Ala Tyr Met Phe
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 Phe His Ile
C25H34N6O7 (530.2488854000001)
Asp Phe His Leu
C25H34N6O7 (530.2488854000001)
Asp Phe Ile His
C25H34N6O7 (530.2488854000001)
Asp Phe Leu His
C25H34N6O7 (530.2488854000001)
Asp His Phe Ile
C25H34N6O7 (530.2488854000001)
Asp His Phe Leu
C25H34N6O7 (530.2488854000001)
Asp His Ile Phe
C25H34N6O7 (530.2488854000001)
Asp His Leu Phe
C25H34N6O7 (530.2488854000001)
Asp Ile Phe His
C25H34N6O7 (530.2488854000001)
Asp Ile His Phe
C25H34N6O7 (530.2488854000001)
Asp Leu Phe His
C25H34N6O7 (530.2488854000001)
Asp Leu His Phe
C25H34N6O7 (530.2488854000001)
Glu Phe His Val
C25H34N6O7 (530.2488854000001)
Glu Phe Val His
C25H34N6O7 (530.2488854000001)
Glu His Phe Val
C25H34N6O7 (530.2488854000001)
Glu His Val Phe
C25H34N6O7 (530.2488854000001)
Glu Val Phe His
C25H34N6O7 (530.2488854000001)
Glu Val His Phe
C25H34N6O7 (530.2488854000001)
Phe Ala Phe Phe
Phe Ala Met Tyr
Phe Ala Tyr Met
Phe Cys Val Tyr
Phe Cys Tyr Val
Phe Asp His Ile
C25H34N6O7 (530.2488854000001)
Phe Asp His Leu
C25H34N6O7 (530.2488854000001)
Phe Asp Ile His
C25H34N6O7 (530.2488854000001)
Phe Asp Leu His
C25H34N6O7 (530.2488854000001)
Phe Glu His Val
C25H34N6O7 (530.2488854000001)
Phe Glu Val His
C25H34N6O7 (530.2488854000001)
Phe Phe Ala Phe
Phe Phe Phe Ala
Phe Phe Met Ser
Phe Phe Ser Met
Phe His Asp Ile
C25H34N6O7 (530.2488854000001)
Phe His Asp Leu
C25H34N6O7 (530.2488854000001)
Phe His Glu Val
C25H34N6O7 (530.2488854000001)
Phe His Ile Asp
C25H34N6O7 (530.2488854000001)
Phe His Leu Asp
C25H34N6O7 (530.2488854000001)
Phe His Met Pro
Phe His Asn Asn
Phe His Pro Met
Phe His Val Glu
C25H34N6O7 (530.2488854000001)
Phe Ile Asp His
C25H34N6O7 (530.2488854000001)
Phe Ile His Asp
C25H34N6O7 (530.2488854000001)
Phe Leu Asp His
C25H34N6O7 (530.2488854000001)
Phe Leu His Asp
C25H34N6O7 (530.2488854000001)
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 Phe Met
Phe Ser Met Phe
Phe Thr Thr Tyr
Phe Thr Tyr Thr
Phe Val Cys Tyr
Phe Val Glu His
C25H34N6O7 (530.2488854000001)
Phe Val His Glu
C25H34N6O7 (530.2488854000001)
Phe Val Tyr Cys
Phe Tyr Ala Met
Phe Tyr Cys Val
Phe Tyr Met Ala
Phe Tyr Thr Thr
Phe Tyr Val Cys
His Asp Phe Ile
C25H34N6O7 (530.2488854000001)
His Asp Phe Leu
C25H34N6O7 (530.2488854000001)
His Asp Ile Phe
C25H34N6O7 (530.2488854000001)
His Asp Leu Phe
C25H34N6O7 (530.2488854000001)
His Glu Phe Val
C25H34N6O7 (530.2488854000001)
His Glu Val Phe
C25H34N6O7 (530.2488854000001)
His Phe Asp Ile
C25H34N6O7 (530.2488854000001)
His Phe Asp Leu
C25H34N6O7 (530.2488854000001)
His Phe Glu Val
C25H34N6O7 (530.2488854000001)
His Phe Ile Asp
C25H34N6O7 (530.2488854000001)
His Phe Leu Asp
C25H34N6O7 (530.2488854000001)
His Phe Met Pro
His Phe Asn Asn
His Phe Pro Met
His Phe Val Glu
C25H34N6O7 (530.2488854000001)
His His His Thr
His His Thr His
His Ile Asp Phe
C25H34N6O7 (530.2488854000001)
His Ile Phe Asp
C25H34N6O7 (530.2488854000001)
His Ile Met Met
His Leu Asp Phe
C25H34N6O7 (530.2488854000001)
His Leu Phe Asp
C25H34N6O7 (530.2488854000001)
His Leu Met Met
His Met Phe Pro
His Met Ile Met
His Met Leu Met
His Met Met Ile
His Met Met Leu
His Met Pro Phe
His Asn Phe Asn
His Asn Asn Phe
His Pro Phe Met
His Pro Met Phe
His Thr His His
His Val Glu Phe
C25H34N6O7 (530.2488854000001)
His Val Phe Glu
C25H34N6O7 (530.2488854000001)
Ile Asp Phe His
C25H34N6O7 (530.2488854000001)
Ile Asp His Phe
C25H34N6O7 (530.2488854000001)
Ile Phe Asp His
C25H34N6O7 (530.2488854000001)
Ile Phe His Asp
C25H34N6O7 (530.2488854000001)
Ile His Asp Phe
C25H34N6O7 (530.2488854000001)
Ile His Phe Asp
C25H34N6O7 (530.2488854000001)
Ile His Met Met
Ile Met His Met
Ile Met Met His
Leu Asp Phe His
C25H34N6O7 (530.2488854000001)
Leu Asp His Phe
C25H34N6O7 (530.2488854000001)
Leu Phe Asp His
C25H34N6O7 (530.2488854000001)
Leu Phe His Asp
C25H34N6O7 (530.2488854000001)
Leu His Asp Phe
C25H34N6O7 (530.2488854000001)
Leu His Phe Asp
C25H34N6O7 (530.2488854000001)
Leu His Met Met
Leu Met His Met
Leu Met Met His
Met Ala Phe Tyr
Met Ala Tyr Phe
Met Phe Ala Tyr
Met Phe Phe Ser
Met Phe His Pro
Met Phe Pro His
Met Phe Ser Phe
Met Phe Tyr Ala
Met His Phe Pro
Met His Ile Met
Met His Leu Met
Met His Met Ile
Met His Met Leu
Met His Pro Phe
Met Ile His Met
Met Ile Met His
Met Leu His Met
Met Leu Met His
Met Met His Ile
Met Met His Leu
Met Met Ile His
Met Met Leu His
Met Pro Phe His
Met Pro His Phe
Met Tyr Ala Phe
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 Asn Gln Arg
Asn Asn Arg Gln
Asn Gln Asn Arg
Asn Gln Arg Asn
Asn Arg Asn Gln
Asn Arg Gln Asn
Pro Phe His Met
Pro Phe Met His
Pro His Phe Met
Pro His Met Phe
Pro Met Phe His
Pro Met His Phe
Pro Gln Thr Trp
C25H34N6O7 (530.2488854000001)
Pro Gln Trp Thr
C25H34N6O7 (530.2488854000001)
Pro Thr Gln Trp
C25H34N6O7 (530.2488854000001)
Pro Thr Trp Gln
C25H34N6O7 (530.2488854000001)
Pro Trp Gln Thr
C25H34N6O7 (530.2488854000001)
Pro Trp Thr Gln
C25H34N6O7 (530.2488854000001)
Gln Asn Asn Arg
Gln Asn Arg Asn
Gln Pro Thr Trp
C25H34N6O7 (530.2488854000001)
Gln Pro Trp Thr
C25H34N6O7 (530.2488854000001)
Gln Gln Gln Gln
Gln Arg Asn Asn
Gln Thr Pro Trp
C25H34N6O7 (530.2488854000001)
Gln Thr Trp Pro
C25H34N6O7 (530.2488854000001)
Gln Trp Pro Thr
C25H34N6O7 (530.2488854000001)
Gln Trp Thr Pro
C25H34N6O7 (530.2488854000001)
Arg Asn Asn Gln
Arg Asn Gln Asn
Arg Gln Asn Asn
Ser Val Tyr Tyr
Ser Tyr Val Tyr
Ser Tyr Tyr Val
Thr Phe Thr Tyr
Thr Phe Tyr Thr
Thr His His His
Thr Pro Gln Trp
C25H34N6O7 (530.2488854000001)
Thr Pro Trp Gln
C25H34N6O7 (530.2488854000001)
Thr Gln Pro Trp
C25H34N6O7 (530.2488854000001)
Thr Gln Trp Pro
C25H34N6O7 (530.2488854000001)
Thr Thr Phe Tyr
Thr Thr Tyr Phe
Thr Trp Pro Gln
C25H34N6O7 (530.2488854000001)
Thr Trp Gln Pro
C25H34N6O7 (530.2488854000001)
Thr Tyr Phe Thr
Thr Tyr Thr Phe
Val Glu Phe His
C25H34N6O7 (530.2488854000001)
Val Glu His Phe
C25H34N6O7 (530.2488854000001)
Val Phe Glu His
C25H34N6O7 (530.2488854000001)
Val Phe His Glu
C25H34N6O7 (530.2488854000001)
Val Phe Tyr Cys
Val His Glu Phe
C25H34N6O7 (530.2488854000001)
Val Ser Tyr Tyr
Val Tyr Ser Tyr
Val Tyr Tyr Ser
Trp Pro Gln Thr
C25H34N6O7 (530.2488854000001)
Trp Pro Thr Gln
C25H34N6O7 (530.2488854000001)
Trp Gln Pro Thr
C25H34N6O7 (530.2488854000001)
Trp Gln Thr Pro
C25H34N6O7 (530.2488854000001)
Trp Thr Pro Gln
C25H34N6O7 (530.2488854000001)
Trp Thr Gln Pro
C25H34N6O7 (530.2488854000001)
Tyr Phe Cys Val
Tyr Phe Thr Thr
Tyr Phe Val Cys
Tyr Met Ala Phe
Tyr Met Phe Ala
Tyr Ser Val Tyr
Tyr Ser Tyr Val
Tyr Thr Phe Thr
Tyr Thr Thr Phe
Tyr Val Cys Phe
Tyr Val Phe Cys
Tyr Val Ser Tyr
Tyr Val Tyr Ser
Tyr Tyr Ser Val
Tyr Tyr Val Ser
tributyl-[5-(1,3-dioxolan-2-yl)-4-hexylthiophen-2-yl]stannane
benzyl 4-[(4-chlorophenyl)methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamoyl]piperazine-1-carboxylate
Elacestrant hydrochloride
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
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
[(1S,2R,3R,4S,5R)-3-[(3S,3aS,4S,4R,5S,6R,7S,7aS)-6-[(1R)-1-azaniumyl-2-hydroxyethyl]-3,4,5,7-tetrahydroxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2-oxane]-4-yl]oxy-5-azaniumyl-2,4-dihydroxycyclohexyl]-methylazanium
C20H40N3O13+3 (530.2561010000001)
(12Z)-14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2-oxirane]-11,22-dione
D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Klymollin B
An eunicellin diterpenoid isolated from the soft coral Klyxum molle. It is the C-7 epimer of Klymollin A.
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
A natural product found in Euphorbia grandicornis.
N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide
1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C27H35FN4O6 (530.2540501999999)
2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1,3-thiazol-2-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-carboxamide
1-(3-fluorophenyl)-3-[(4S,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C27H35FN4O6 (530.2540501999999)
2-[(3R,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1,3-thiazol-2-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-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-[(3S,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
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
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
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
1-(3-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C27H35FN4O6 (530.2540501999999)
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
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
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
1-(3-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C27H35FN4O6 (530.2540501999999)
1-(3-fluorophenyl)-3-[(4R,7S,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C27H35FN4O6 (530.2540501999999)
1-(3-fluorophenyl)-3-[(4R,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C27H35FN4O6 (530.2540501999999)
1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
C27H35FN4O6 (530.2540501999999)
(5S,6R,9R)-N-(2-fluorophenyl)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
C27H35FN4O6 (530.2540501999999)
2-[(3R,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(2R,3R,6R,8R,9S,12S,13R,14R,15R,16R)-6,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] tridecanoate
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
1-tridecanoyl-sn-glycero-3-phospho-(1-myo-inositol)
hygromycin B(3+)
C20H40N3O13 (530.2561010000001)
An ammonium ion that is the trication of hygromycin B arising from protonation of the three amino groups; major species at pH 7.3.
2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl 7-hydroxy-6-[2-(5-oxo-2h-furan-3-yl)ethoxy]octa-2,4-dienoate
(1'r,2s,3's,8's,12'e,17'r,18'e,20'e,24'r,25's,27'r)-27'-hydroxy-17'-[(1s)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
(18'e)-27'-hydroxy-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
methyl 2-[(1s,3r,4s,5s,7s,8s,9r,12s,13s)-4-(acetyloxy)-13-(furan-3-yl)-5-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
(4s,7r,8s,11s,18s)-4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol
(1s,2r,5s,7s,8s,10r,12r,13s,15s,16r,17s,18r)-16-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-18-hydroxy-17-methyl-3-oxo-6,9-dioxahexacyclo[10.7.0.0²,⁸.0⁵,⁷.0⁸,¹⁰.0¹³,¹⁷]nonadecan-15-yl acetate
(1s,3r,5s,7r,9s,10s,12r,14r,15s,18r,19r,22r)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-23-ene-14-carbaldehyde
(18'e,20'e)-14'-hydroxy-17'-(1-hydroxyethyl)-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0³,⁸.0⁸,²⁵]heptacosane]-4',12',18',20'-tetraene-11',22'-dione
9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde
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
(19'e,21'e)-18'-(1-hydroxyethyl)-5',14',26'-trimethyl-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-11',23'-dione
(2s,3s,4r,5r)-6-hydroxy-4,5-bis[(1-hydroxyethylidene)amino]-3-{[(2r,3r,4s,5r)-3,4,5-tris[(1-hydroxyethylidene)amino]oxan-2-yl]oxy}oxane-2-carboximidic acid
12'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24',29'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.1¹⁵,¹⁸.0³,⁸.0⁸,²⁶]nonacosane]-4',19',21'-triene-11',23'-dione
[(2s,3r,4r)-4-(3,4,5-trimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]methyl(2z)-2-methylbut-2-en-oate
{"Ingredient_id": "HBIN006634","Ingredient_name": "[(2s,3r,4r)-4-(3,4,5-trimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]methyl(2z)-2-methylbut-2-en-oate","Alias": "NA","Ingredient_formula": "C29H38O9","Ingredient_Smile": "CC=C(C)C(=O)OCC1C(COC1C2=CC(=C(C(=C2)OC)OC)OC)CC3=CC(=C(C(=C3)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21882","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}