Exact Mass: 704.3533448000001
Exact Mass Matches: 704.3533448000001
Found 195 metabolites which its exact mass value is equals to given mass value 704.3533448000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Voacamine
Voacamine is only found in individuals that have used or taken this drug. It is an alkaloid isolated from the bark of the Pescheria fuchsiae folia tree. It is an antimalarial drug approved for use in several African countries. Voacamine is also under investigation for use in modulating multidrug-resistance in tumor cells. Voacamine is possibly a substrate for P-glycoprotein (P-gp), an efflux pump responsible for multidrug resistance in tumor cells. Voacamine may compete with anticancer drugs such as doxorubicin for P-gp transport, decreasing removal of doxorubicin. Voacamine is a citraconoyl group. Voacamine is an alkaloid isolated from the bark of the Pescheria fuchsiae folia tree. It is an antimalarial drug approved for use in several African countries. Voacamine is also under investigation for use in modulating multidrug-resistance in tumor cells. Voacamine is a natural product found in Voacanga schweinfurthii, Voacanga africana, and other organisms with data available. Voacamine, an indole alkaloid, exhibits potent cannabinoid CB1 receptor antagonistic activity[1]. Voacamine also inhibits P-glycoprotein (P-gp) action in multidrug-resistant tumor cells[1].
Atazanavir
Atazanavir (formerly known as BMS-232632) is an antiretroviral drug of the protease inhibitor (PI) class. Like other antiretrovirals, it is used to treat infection of human immunodeficiency virus (HIV). Atazanavir is distinguished from other PIs in that it can be given once-daily (rather than requiring multiple doses per day) and has lesser effects on the patients lipid profile (the amounts of cholesterol and other fatty substances in the blood). Like other protease inhibitors, it is used only in combination with other HIV medications. The U.S. Food and Drug Administration (FDA) approved atazanavir on June 20, 2003. [Wikipedia] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
25-Acetyl-6,7-didehydrofevicordin F 3-glucoside
25-Acetyl-6,7-didehydrofevicordin F 3-glucoside is found in fruits. 25-Acetyl-6,7-didehydrofevicordin F 3-glucoside is a constituent of Cyclanthera pedata (achoccha)
PGP(a-13:0/i-12:0)
PGP(a-13:0/i-12:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(a-13:0/i-12:0), in particular, consists of one chain of anteisotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.
PGP(i-12:0/a-13:0)
PGP(i-12:0/a-13:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(i-12:0/a-13:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of anteisotridecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.
PGP(i-12:0/i-13:0)
PGP(i-12:0/i-13:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(i-12:0/i-13:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of isotridecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.
PGP(i-13:0/i-12:0)
PGP(i-13:0/i-12:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(i-13:0/i-12:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.
12-methoxy-11-(16-methoxycarbonyl-17-nor-vobasan-3-yl)-ibogamine-18-carboxylic acid methyl ester|12-Methoxy-11-[3R,16S)-16-methoxycarbonyl-17-nor-vobasan-3-yl]-ibogamin-18-carbonsaeure-methylester|12-methoxy-11-[3R,16S)-16-methoxycarbonyl-17-nor-vobasan-3-yl]-ibogamine-18-carboxylic acid methyl ester|Voacamidin|Voacamidine
2-hydroxythymol 3-O-(4-O-angeloyl-beta-D-fucopyranosyl)-(1->3)-(2,4-di-O-angeloyl)-beta-D-fucopyranoside
butyl 3-O-acetyl-2-O-butanoyl-3,4,4-tri(O-2-methylpropanoyl)neohesperidoside
2-hydroxythymol 3-O-(3-O-angeloyl-beta-D-fucopyranosyl)-(1->3)-(2,4-di-O-angeloyl)-beta-D-fucopyranoside
14-Hydroxy-3beta-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-5beta,14beta-card-20(22)-enolid|14-hydroxy-3beta-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-5beta,14beta-card-20(22)-enolide
(3beta,6beta,8beta,15alpha,16beta,22E,24R)--3-O-[2-O-Methyl-beta-D-xylopynoside],15-sulsate, Ergosta-4,22-diene-3,6,8,15,16,28-hexol
(2R,3R,4S,5R,7S,8R,13R,15R)-2,3,5,7,15-pentaacetoxy-8-angeloyloxy-9,14-dioxo-jatropha-6(17),11E-diene|jatrophene diterpene
cyclo{-(betaS)-Nalpha-(N,N-dimethyl-L-tryptophyl-L-prolyl)-beta-oxy-L-phenylalanyl-L-leucyl-psi[NH-CH=CH-(4,1-phenylene)]-}|hemsine C
12-methoxy-14-(16-methoxycarbonyl-17-nor-vobasan-3-yl)-ibogamine-18-carboxylic acid methyl ester|Voacamine
(3beta,6beta,8beta,15alpha,16beta,22E,24R,25S)-3-O-[2-O-Methyl-beta-D-xylopynoside],15-sulsate,Ergosta-4,22-diene-3,6,8,15,16,26-hexol
12-Demethylvobtusine|Demethylvobtusin|ent-6beta,21;6beta,21-diepoxy-2,17-dihydroxy-2,3-didehydro-(7betaC4,3beta)-3,4-dihydro-2H-spiro[aspidospermidine-7,5-pyrido[1,2,3:1,2,3]aspidospermidine]-3-carboxylic acid methyl ester|O-12-Demethyl-vobtusin|O-demethyl-vobtusine
C42H48N4O6 (704.3573667999999)
1alpha,2alpha,6beta-Triacetoxy-8alpha,13-diisobutanoyloxy-9beta-benzoyloxy-4beta-hydroxy-beta-dihydroagarofuran|2-methylpropanoic acid rel-[(3R,4R,5R,5aS,6R,7S,9S,9aS,10R)-6,7,10-tris(acetyloxy)-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4-(2-methyl-1-oxopropoxy)-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester
9-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-(3S,5R,9R)-3,6,9-trihydroxymegastigmane|eryciboside K
Atazanavir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2148 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3012
Voacamine
Annotation level-1 Voacamine, an indole alkaloid, exhibits potent cannabinoid CB1 receptor antagonistic activity[1]. Voacamine also inhibits P-glycoprotein (P-gp) action in multidrug-resistant tumor cells[1].
Lys Trp Trp Trp
C39H44N8O5 (704.3434493999999)
Gln Trp Trp Trp
C38H40N8O6 (704.3070660000001)
Trp Lys Trp Trp
C39H44N8O5 (704.3434493999999)
Trp Gln Trp Trp
C38H40N8O6 (704.3070660000001)
Trp Trp Lys Trp
C39H44N8O5 (704.3434493999999)
Trp Trp Gln Trp
C38H40N8O6 (704.3070660000001)
Trp Trp Trp Lys
C39H44N8O5 (704.3434493999999)
Trp Trp Trp Gln
C38H40N8O6 (704.3070660000001)
25-Acetyl-6,7-didehydrofevicordin F 3-glucoside
Butyl 3-O-acetyl-2-O-butanoyl-4,6,4-tri-O-(2-methylpropanoyl)-neohesperidoside
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)samarium(III)
C33H60O6Sm (704.3587069999999)
Mitiglinide calcium hydrate
C38H52CaN2O8 (704.3349382000001)
D007004 - Hypoglycemic Agents
[(3R,4R)-1-[[(3S,6Z,9S,12S,15S)-3-[(4S,6R)-2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-3-ium-6-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]amino]-6-azaniumyl-4-hydroxy-1-oxohexan-3-yl]azanium
C25H46N13O11+3 (704.3439586000001)
1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
methyl 17-ethyl-6-[(15Z)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (1S,15R,17S,18S)-17-ethyl-6-[(1R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
C35H61O12P (704.3900435999999)
[1-decoxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
C35H61O12P (704.3900435999999)
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
C35H61O12P (704.3900435999999)
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[1-heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
C34H57O13P (704.3536601999999)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
C34H57O13P (704.3536601999999)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-nonanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
C34H57O13P (704.3536601999999)
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
C34H57O13P (704.3536601999999)
methyl N-[(2R)-1-[2-[(2S,3R)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[(2S,3S,6S)-6-[3-[(E)-dec-4-enoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[(2S,3S,6S)-6-[3-decanoyloxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
12-({11-hydroxy-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1(13),2(10),11-trien-12-yl}methyl)-4,6,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1,10,12-trien-11-ol
1-[(1s,12s,13s,18r)-8-{[(1r,12r,13r,16s,17r,18s)-16-hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl]methyl}-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
1-[8-({16-hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl}methyl)-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate
methyl (1s,2r,5s,11r,12s,15e,24r,25r,26r,28s,40r)-15-ethylidene-34-methoxy-10,24,30,39-tetramethyl-4,6-dioxa-10,17,30,39-tetraazaundecacyclo[26.10.1.1¹⁴,²⁰.0²,²⁶.0⁵,²⁵.0⁷,²³.0⁹,²¹.0¹¹,²⁰.0¹²,¹⁷.0²⁹,³⁷.0³¹,³⁶]tetraconta-7(23),8,21,29(37),31,33,35-heptaene-40-carboxylate
4,5-dihydroxy-6-{[2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-methyl-3,5-bis[(2-methylbut-2-enoyl)oxy]oxan-4-yl]oxy}-2-methyloxan-3-yl 2-methylbut-2-enoate
methyl (1s,15r,17s,18s)-17-ethyl-5-[(1s,12s,14r,15e,18s)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl 17-ethyl-7-[(15z)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
9-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
36',37'-dimethyl (1's,12'r,13'e,30'r,36'r,37'r)-13'-ethylidene-3,8',26'-trimethyl-22'-oxa-8',15',26',33'-tetraazaspiro[oxirane-2,31'-undecacyclo[28.5.1.1¹²,¹⁸.0¹,²⁷.0²,²⁵.0⁴,²³.0⁵,²¹.0⁷,¹⁹.0⁹,¹⁵.0⁹,¹⁸.0²⁷,³³]heptatriacontane]-2',4'(23'),5'(21'),6',19',24'-hexaene-36',37'-dicarboxylate
C42H48N4O6 (704.3573667999999)
1α,2α,6β-triacetoxy-8α,13-diisobutanoyloxy-9β-benzoyloxy-4β-hydroxy-β-dihydroagarofuran
{"Ingredient_id": "HBIN002269","Ingredient_name": "1\u03b1,2\u03b1,6\u03b2-triacetoxy-8\u03b1,13-diisobutanoyloxy-9\u03b2-benzoyloxy-4\u03b2-hydroxy-\u03b2-dihydroagarofuran","Alias": "NA","Ingredient_formula": "C36H48O14","Ingredient_Smile": "CC(C)C(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C(C)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21501","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
{[(2r,3s,8s,13r,14s,19s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid
(2s,3r,4s,5s,6r)-4-{[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-methyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-3-yl (2z)-2-methylbut-2-enoate
2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid
methyl (1r,15s,17r,18r)-17-ethyl-7-[(1s,12r,14r,15e,18r)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl 15-ethylidene-34-methoxy-10,24,30,39-tetramethyl-4,6-dioxa-10,17,30,39-tetraazaundecacyclo[26.10.1.1¹⁴,²⁰.0²,²⁶.0⁵,²⁵.0⁷,²³.0⁹,²¹.0¹¹,²⁰.0¹²,¹⁷.0²⁹,³⁷.0³¹,³⁶]tetraconta-7(23),8,21,29(37),31,33,35-heptaene-40-carboxylate
(4r,6r,8r,15r,18r,19r)-12-{[(4r,7r,8r,15r,18r,19r)-11-hydroxy-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1(13),2(10),11-trien-12-yl]methyl}-4,6,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1,10,12-trien-11-ol
n-[(3s,7s,10e)-5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid
2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid
1-[(12s,13r,18r)-7-{[(12s,13r,18r)-16-hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl]methyl}-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
methyl (1s,15r,17s,18s)-17-ethyl-8-[(1s,12r,14r,15e,18s)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(2s,3r,4s,5s,6r)-4-{[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-methyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-methyl-5-{[(2z)-2-methylbut-2-enoyl]oxy}oxan-3-yl (2z)-2-methylbut-2-enoate
9-formyl-2-({[6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid
3,5-dihydroxy-2-{[2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-methyl-3,5-bis[(2-methylbut-2-enoyl)oxy]oxan-4-yl]oxy}-6-methyloxan-4-yl 2-methylbut-2-enoate
methyl (1s,15s,17s,18s)-17-ethyl-5-[(1s,12r,14s,15e)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(2r,3r,4r,5s,6s)-4-(acetyloxy)-2-{[(2r,3r,4s,5s,6r)-2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl]oxy}-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-3-yl butanoate
(1s,3br,4r,5as,7r,9s,9as,9br,11as)-4,9-bis(acetyloxy)-1-(7,7-dimethyl-5,6-dioxooxepan-3-yl)-3b,6,6,9a,11a-pentamethyl-2-oxo-1h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl benzoate
methyl (1s,15r,17s,18s)-17-ethyl-6-[(1s,12s,14r,15e,18s)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (1s,2r,5s,11r,12s,14r,15z,20r,24r,25r,26r,28s,40s)-15-ethylidene-34-methoxy-10,24,30,39-tetramethyl-4,6-dioxa-10,17,30,39-tetraazaundecacyclo[26.10.1.1¹⁴,²⁰.0²,²⁶.0⁵,²⁵.0⁷,²³.0⁹,²¹.0¹¹,²⁰.0¹²,¹⁷.0²⁹,³⁷.0³¹,³⁶]tetraconta-7(23),8,21,29(37),31,33,35-heptaene-40-carboxylate
1-[(1s,12s,13r,18r)-7-{[(1s,12s,13r,16r,17s,18r)-16-hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl]methyl}-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
6-(2,7-dihydroxy-3a,6,9b,11a-tetramethyl-10-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,5h,11h-cyclopenta[a]phenanthren-1-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
2-[(2-{[2-(3-amino-2-hydroxy-n-methyldecanamido)-1-hydroxy-4-methanesulfinylbutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-3-(4-methoxyphenyl)propanoic acid
C35H52N4O9S (704.3454822000001)
4-(acetyloxy)-2-({2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl}oxy)-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-3-yl butanoate
methyl (1r,15r,17s,18s)-17-ethyl-8-[(1r,12r,14s,15e,18s)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl 17-ethyl-5-[(15e)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(2s,3r,4s,5s,6r)-3,5-dihydroxy-2-{[(2s,3r,4s,5r,6r)-2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-methyl-3,5-bis({[(2z)-2-methylbut-2-enoyl]oxy})oxan-4-yl]oxy}-6-methyloxan-4-yl (2z)-2-methylbut-2-enoate
{[(2r,3s,8r,13r,14s,19s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid
(2e,4e,6e)-n-[(1s)-1-{[(3s,7s,13s,16s,19s)-15-hydroxy-13,16,17-trimethyl-2,6,12,18-tetraoxo-5-oxa-1,11,14,17-tetraazatricyclo[17.3.0.0⁷,¹¹]docos-14-en-3-yl]-c-hydroxycarbonimidoyl}-2-phenylethyl]octa-2,4,6-trienimidic acid
C37H48N6O8 (704.3533448000001)
4-{17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-7-yl}-3-[13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.0²,¹⁰.0⁴,⁹]hexadeca-2(10),4,6,8-tetraen-14-yl]butan-2-one
(1r,2s,4r,5r,8r,9s,11r)-9-formyl-2-({[(2s,5r,6r,7r,9r,10r)-6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid
36',37'-dimethyl (13'z)-13'-ethylidene-3,8',26'-trimethyl-22'-oxa-8',15',26',33'-tetraazaspiro[oxirane-2,31'-undecacyclo[28.5.1.1¹²,¹⁸.0¹,²⁷.0²,²⁵.0⁴,²³.0⁵,²¹.0⁷,¹⁹.0⁹,¹⁵.0⁹,¹⁸.0²⁸,³³]heptatriacontane]-2',4'(23'),5'(21'),6',19',24'-hexaene-36',37'-dicarboxylate
C42H48N4O6 (704.3573667999999)
methyl 17-ethyl-5-[15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl 17-ethyl-5-[(12s,15z)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate
{[8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid
methyl (1s,15r,17s,18s)-17-ethyl-7-[(1s,12r,14r,15z,18s)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(2r,3r,5s,6s)-2-{[(1r,2r,3as,3bs,7s,8s,9ar,9br,11ar)-1-[(2r,4e)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate
2,3,4,6-tetrakis(acetyloxy)-13a-[(acetyloxy)methyl]-2,9,9,12-tetramethyl-5-methylidene-8,13-dioxo-1h,3h,3ah,4h,6h,7h,12h-cyclopenta[12]annulen-7-yl 2-methylbut-2-enoate
n-[5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid
(2s)-2-{[(2s)-2-{[(2s)-2-[(2s,3s)-3-amino-2-hydroxy-n-methyldecanamido]-1-hydroxy-4-methanesulfinylbutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(4-methoxyphenyl)propanoic acid
C35H52N4O9S (704.3454822000001)