Exact Mass: 530.2449
Exact Mass Matches: 530.2449
Found 500 metabolites which its exact mass value is equals to given mass value 530.2449
,
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
Glycerol phenylbutyrate
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C26170 - Protective Agent
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
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
Asp Phe His Ile
Asp Phe His Leu
Asp Phe Ile His
Asp Phe Leu His
Asp His Phe Ile
Asp His Phe Leu
Asp His Ile Phe
Asp His Leu Phe
Asp Ile Phe His
Asp Ile His Phe
Asp Leu Phe His
Asp Leu His Phe
Glu Phe His Val
Glu Phe Val His
Glu His Phe Val
Glu His Val Phe
Glu Val Phe His
Glu Val His Phe
Phe Ala Phe Phe
Phe Asp His Ile
Phe Asp His Leu
Phe Asp Ile His
Phe Asp Leu His
Phe Glu His Val
Phe Glu Val His
Phe Phe Ala Phe
Phe Phe Phe Ala
Phe His Asp Ile
Phe His Asp Leu
Phe His Glu Val
Phe His Ile Asp
Phe His Leu Asp
Phe His Met Pro
Phe His Asn Asn
Phe His Pro Met
Phe His Val Glu
Phe Ile Asp His
Phe Ile His Asp
Phe Leu Asp His
Phe Leu His Asp
Phe Met His Pro
Phe Met Pro His
Phe Asn His Asn
Phe Asn Asn His
Phe Pro His Met
Phe Pro Met His
Phe Thr Thr Tyr
Phe Thr Tyr Thr
Phe Val Glu His
Phe Val His Glu
Phe Tyr Thr Thr
His Asp Phe Ile
His Asp Phe Leu
His Asp Ile Phe
His Asp Leu Phe
His Glu Phe Val
His Glu Val Phe
His Phe Asp Ile
His Phe Asp Leu
His Phe Glu Val
His Phe Ile Asp
His Phe Leu Asp
His Phe Met Pro
His Phe Asn Asn
His Phe Pro Met
His Phe Val Glu
His His His Thr
His His Thr His
His Ile Asp Phe
His Ile Phe Asp
His Ile Met Met
His Leu Asp Phe
His Leu Phe Asp
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
His Val Phe Glu
Ile Asp Phe His
Ile Asp His Phe
Ile Phe Asp His
Ile Phe His Asp
Ile His Asp Phe
Ile His Phe Asp
Ile His Met Met
Ile Met His Met
Ile Met Met His
Leu Asp Phe His
Leu Asp His Phe
Leu Phe Asp His
Leu Phe His Asp
Leu His Asp Phe
Leu His Phe Asp
Leu His Met Met
Leu Met His Met
Leu Met Met His
Met Phe His Pro
Met Phe Pro His
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
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Met Met Ile His
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Met Pro His Phe
Met Pro Gln Arg
Met Pro Arg Gln
Met Gln Pro Arg
Met Gln Arg Pro
Met Arg Pro Gln
Met Arg Gln 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 Asn Gln Arg
Asn Asn Arg Gln
Asn Gln Asn Arg
Asn Gln Arg Asn
Asn Arg Asn Gln
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Pro Phe His Met
Pro Phe Met His
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Pro Met His Phe
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Pro Met Arg Gln
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Pro Gln Arg Met
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Pro Gln Trp Thr
Pro Arg Met Gln
Pro Arg Gln Met
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Pro Thr Trp Gln
Pro Trp Gln Thr
Pro Trp Thr Gln
Gln Met Pro Arg
Gln Met Arg Pro
Gln Asn Asn Arg
Gln Asn Arg Asn
Gln Pro Met Arg
Gln Pro Arg Met
Gln Pro Thr Trp
Gln Pro Trp Thr
Gln Gln Gln Gln
Gln Arg Met Pro
Gln Arg Asn Asn
Gln Arg Pro Met
Gln Thr Pro Trp
Gln Thr Trp Pro
Gln Trp Pro Thr
Gln Trp Thr Pro
Arg Met Pro Gln
Arg Met Gln Pro
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Arg Pro Gln Met
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Arg Gln Pro Met
Ser Val Tyr Tyr
Ser Tyr Val Tyr
Ser Tyr Tyr Val
Thr Phe Thr Tyr
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Thr His His His
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Val Glu Phe His
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Trp Pro Gln Thr
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Tyr Tyr Val Ser
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
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
Glycerol phenylbutyrate
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C26170 - Protective 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
(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
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
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
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
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
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
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
(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
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+)
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
(2e,5r)-5-{[(8s)-6-benzoyl-7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-5-oxochromen-8-yl]methyl}-2,6-dimethylhepta-2,6-dienoic acid
(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"}