Exact Mass: 548.2006001999999

Bruceantin

C28H36O11 (548.2257506)

Bruceantin is a triterpenoid. Bruceantin is a natural product found in Brucea javanica and Brucea antidysenterica with data available. Bruceantin is a triterpene quassinoid antineoplastic antibiotic isolated from the plant Brucea antidysenterica. Bruceantin inhibits the peptidyl transferase elongation reaction, resulting in decreased protein and DNA synthesis. Bruceantin also has antiamoebic and antimalarial activity. (NCI04) C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1974 - Quassinoid Agent C784 - Protein Synthesis Inhibitor C1907 - Drug, Natural Product Bruceantin (NSC165563) can be extracted from B. javanica and has inhibitory effects on B16 melanoma, colon cancer 38, L1210 and leukemia P388. Bruceantin (NSC165563) can be extracted from B. javanica and has inhibitory effects on B16 melanoma, colon cancer 38, L1210 and leukemia P388.

Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]

C27H32O12 (548.1893672)

(1-((2-Methoxy-4-(((phenylsulfonyl)amino)carbonyl)phenyl)methyl)-1H-indazol-6-yl)carbamic acid cyclopentyl ester

C28H28N4O6S (548.1729468000001)

1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester

C25H28N2O12 (548.1642168000001)

PA(2:0/PGE2)

C25H41O11P (548.2386366)

PA(2:0/PGE2) 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/PGE2), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin E2 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(PGE2/2:0)

C25H41O11P (548.2386366)

PA(PGE2/2:0) 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(PGE2/2:0), in particular, consists of one chain of one Prostaglandin E2 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).

PA(2:0/PGD2)

C25H41O11P (548.2386366)

PA(2:0/PGD2) 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/PGD2), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Prostaglandin D2 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(PGD2/2:0)

C25H41O11P (548.2386366)

PA(PGD2/2:0) 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(PGD2/2:0), in particular, consists of one chain of one Prostaglandin D2 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).

PA(2:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C25H41O11P (548.2386366)

PA(2:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 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(2:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Lipoxin A4 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/2:0)

C25H41O11P (548.2386366)

PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/2:0), in particular, consists of one chain of one Lipoxin A4 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).

Sibiricose A6

C23H32O15 (548.1741122)

Sibiricose A6 is a natural product found in Polygala arillata, Polygala karensium, and other organisms with data available.

Sibiricose

C23H32O15 (548.1741122)

Sibiricose A6 is a natural product found in Polygala arillata, Polygala karensium, and other organisms with data available.

Neohancoside D

C23H32O15 (548.1741122)

Paratunamide D (not validated)

C26H32N2O11 (548.2006001999999)

Annotation level-3

12-O-Nortrilobine

C34H32N2O5 (548.2311102)

Apateline

C34H32N2O5 (548.2311102)

Briaranolide E

C28H36O11 (548.2257506)

Tricordatine

C34H32N2O5 (548.2311102)

Pannellin 1-O-acetate

C30H28O10 (548.1682388)

3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside

C28H36O11 (548.2257506)

Kunzeaphlogin F

C24H36O14 (548.2104956000001)

Ambofuracin

C27H32O12 (548.1893672)

Sparanoside B

C23H32O15 (548.1741122)

Nortrilobine

C34H32N2O5 (548.2311102)

Hymenoside D

C27H32O12 (548.1893672)

[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate

C28H36O11 (548.2257506)

Pachyclavulide C

C28H36O11 (548.2257506)

FT-0775560

C23H32O15 (548.1741122)

Glabcensin R

C28H36O11 (548.2257506)

Pachyovatamine

C34H32N2O5 (548.2311102)

Hymenoside C

C27H32O12 (548.1893672)

Asterriquinone SU-5500

C34H32N2O5 (548.2311102)

Kurramine 2beta-N-oxide

C33H28N2O6 (548.1947268)

Kurramine 2alpha-N-oxide

C33H28N2O6 (548.1947268)

3,4-Dihydroxyrottlerin

C30H28O10 (548.1682388)

Cocsoline

C34H32N2O5 (548.2311102)

(+)-Cocsoline

C34H32N2O5 (548.2311102)

12-O-acetylbriviolide D

C28H36O11 (548.2257506)

Elsinochrome C

C30H28O10 (548.1682388)

C28H36O11

C28H36O11 (548.2257506)

Teupyreinidin

C28H36O11 (548.2257506)

chloromethyl schisantherin B

C28H33ClO9 (548.1812998)

1alpha,2alpha,6beta-Triacetoxy-9alpha-benzoyloxy-8alpha,15-dihydroxydihydro-beta-agarofuran

C28H36O11 (548.2257506)

Hexa-Ac-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose|Hexa-Ac-beta-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose

C23H32O15 (548.1741122)

Plucheoside D2

C27H32O12 (548.1893672)

Me glycoside,2,3-O-isopropylidene,tetra-Ac-4-O-alpha-D-Mannopyranosyl-L-rhamnose|Me glycoside,2,3-O-isopropylidene,tetra-Ac-4-O-beta-D-Galactopyranosyl-L-rhamnose|Me glycoside,2,3-O-isopropylidene,tetra-Ac-alphaalpha-Pyranose-4-O-beta-D-Glucopyranosyl-L-rhamnose

C24H36O14 (548.2104956000001)

(5R,6S,9S,10S,12S)-15,16-epoxy-2-oxo-6-O-(beta-D-glucopyranosyl)-cleroda-3,7,13(16),14-tetraen-17,12-olid-18-oic acid methyl ester

C27H32O12 (548.1893672)

(1alpha,11beta)-23-ethoxy-1,2,21,23-tetrahydro-1,11-dihydroxy-21-oxoobacunone|23-ethoxy-21,23-dihydro-21-oxoclausenarin

C28H36O11 (548.2257506)

1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-1,6,15-triacetoxy-4,8-dihydroxy-dihydro-beta-agarofuran

C28H36O11 (548.2257506)

wenchuanensin

C27H32O12 (548.1893672)

(1S)-tetramethyl-1-O-methylnyasicoside

C28H36O11 (548.2257506)

1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

C30H28O10 (548.1682388)

Hypomycin D

C30H28O10 (548.1682388)

Hypocrellin b

C30H28O10 (548.1682388)

lysidisides C

C24H36O14 (548.2104956000001)

ARQ monoacetate

C34H32N2O5 (548.2311102)

robustolide C

C28H36O11 (548.2257506)

2,5-dihydroxy-4-methoxyphenanthrene 2-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside

C27H32O12 (548.1893672)

SCHEMBL17867115

C26H32N2O9S (548.1828422)

trigohowilol F

C35H32O6 (548.2198771999999)

harperfolide

C27H32O12 (548.1893672)

JBIR-52

C27H36N2O10 (548.2369836)

Diosmetin 7-O-alpha-L-rhamnopyranosyl-(1?6)-beta-D-glucopyranoside|genipin 1-O-alpha-L-rhamnopyranosyl(1?6)-beta-D-glucopyranoside

C24H36O14 (548.2104956000001)

kuwanol A

C34H28O7 (548.1834938)

bruceanol-F

C28H36O11 (548.2257506)

Rottlerin-3,4-Dihydroxy

C30H28O10 (548.1682388)

hypocrellin a

C30H28O10 (548.1682388)

3-chloro-4-O-demethylmicrophyllinic acid

C28H33ClO9 (548.1812998)

marinoid E

C27H32O12 (548.1893672)

Striatoside B

C27H32O12 (548.1893672)

(2-hydroxy-3-methoxy-5-allyl)phenyl beta-D-(6-O-E-sinapoyl)glucopyranoside

C27H32O12 (548.1893672)

1S,4S,5S,6R,7R,8R,9S,10S-9-benzoyloxy-6,8,15-triacetoxy-1,4-dihydroxy-dihydro-beta-agarofuran

C28H36O11 (548.2257506)

(1R*,2R*,3R*,5Z,7S*,8(17)E,9S*,10S*,11R*,12S*,14S*)-2,3,9,14-tetraacetoxy-11,12-epoxybriara-5,8(17)-dien-18-one|excavatolide S

C28H36O11 (548.2257506)

(1R*)-1-(furan-3-yl)-2-[(6aR,7R,8S,9R,10aS)-9-(beta-D-ribo-hexopyranosyl-3-uloseoxy)-3,5,6,6a,7,8,9,10-octahydro-7,8-dimethyl-3-oxonaphtho[1,8a-c]furan-7-yl]ethyl acetate|15,16-epoxy-12alpha-O-acetylcleroda-3,13(16),14-triene-18,19-olide-7alpha-O-beta-D-ribohexo-3-ulopyranoside|splendidin C

C28H36O11 (548.2257506)

Rocaglamide derivative 10

C30H28O10 (548.1682388)

Tyr His Asp Asp

C23H28N6O10 (548.1866828)

Gly Arg Ser Asp Asp

C19H32N8O11 (548.2190442)

MaohuosideA

C27H32O12 (548.1893672)

Maohuoside A, a single compound isolated from the E. koreanum that potently promotes osteogenesis. Maohuoside A enhances the osteogenesis of bone marrow-derived mesenchymal stem cells via bone morphogenetic protein (BMP) and MAPK signaling pathways[1][2]. Maohuoside A, a single compound isolated from the E. koreanum that potently promotes osteogenesis. Maohuoside A enhances the osteogenesis of bone marrow-derived mesenchymal stem cells via bone morphogenetic protein (BMP) and MAPK signaling pathways[1][2].

Sibiricose A1

C23H32O15 (548.1741122)

Sibiricose A1 is a hydroxycinnamic acid. Sibiricose A1 is a natural product found in Polygala arillata, Caryopteris incana, and Polygala sibirica with data available. Sibiricose A1is an oligosaccharide ester that can be found in Polygala tenuifolia[1].

C23H32O15_alpha-D-Glucopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-fructofuranosyl

C23H32O15 (548.1741122)

C23H32O15_alpha-D-Glucopyranoside, beta-D-fructofuranosyl 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]

C23H32O15 (548.1741122)

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate_major

C23H32O15 (548.1741122)

Ala Ser Trp Trp

C28H32N6O6 (548.2383212)

Ala Trp Ser Trp

C28H32N6O6 (548.2383212)

Ala Trp Trp Ser

C28H32N6O6 (548.2383212)

Cys Thr Tyr Tyr

C25H32N4O8S (548.1940752)

Cys Tyr Thr Tyr

C25H32N4O8S (548.1940752)

Cys Tyr Tyr Thr

C25H32N4O8S (548.1940752)

Asp Asp His Tyr

C23H28N6O10 (548.1866828)

Asp Asp Asn Trp

C23H28N6O10 (548.1866828)

Asp Asp Trp Asn

C23H28N6O10 (548.1866828)

Asp Asp Tyr His

C23H28N6O10 (548.1866828)

Asp Phe His Met

C24H32N6O7S (548.2053082)

Asp Phe Met His

C24H32N6O7S (548.2053082)

Asp His Asp Tyr

C23H28N6O10 (548.1866828)

Asp His Phe Met

C24H32N6O7S (548.2053082)

Asp His Met Phe

C24H32N6O7S (548.2053082)

Asp His Tyr Asp

C23H28N6O10 (548.1866828)

Asp Met Phe His

C24H32N6O7S (548.2053082)

Asp Met His Phe

C24H32N6O7S (548.2053082)

Asp Met Gln Arg

C20H36N8O8S (548.2376696)

Asp Met Arg Gln

C20H36N8O8S (548.2376696)

Asp Asn Asp Trp

C23H28N6O10 (548.1866828)

Asp Asn Trp Asp

C23H28N6O10 (548.1866828)

Asp Gln Met Arg

C20H36N8O8S (548.2376696)

Asp Gln Arg Met

C20H36N8O8S (548.2376696)

Asp Gln Thr Trp

C24H32N6O9 (548.2230662)

Asp Gln Trp Thr

C24H32N6O9 (548.2230662)

Asp Arg Met Gln

C20H36N8O8S (548.2376696)

Asp Arg Gln Met

C20H36N8O8S (548.2376696)

Asp Thr Gln Trp

C24H32N6O9 (548.2230662)

Asp Thr Trp Gln

C24H32N6O9 (548.2230662)

Asp Trp Asp Asn

C23H28N6O10 (548.1866828)

Asp Trp Asn Asp

C23H28N6O10 (548.1866828)

Asp Trp Gln Thr

C24H32N6O9 (548.2230662)

Asp Trp Thr Gln

C24H32N6O9 (548.2230662)

Asp Tyr Asp His

C23H28N6O10 (548.1866828)

Asp Tyr His Asp

C23H28N6O10 (548.1866828)

Glu His Thr Tyr

C24H32N6O9 (548.2230662)

Glu His Tyr Thr

C24H32N6O9 (548.2230662)

Glu Met Asn Arg

C20H36N8O8S (548.2376696)

Glu Met Arg Asn

C20H36N8O8S (548.2376696)

Glu Asn Met Arg

C20H36N8O8S (548.2376696)

Glu Asn Arg Met

C20H36N8O8S (548.2376696)

Glu Asn Thr Trp

C24H32N6O9 (548.2230662)

Glu Asn Trp Thr

C24H32N6O9 (548.2230662)

Glu Gln Ser Trp

C24H32N6O9 (548.2230662)

Glu Gln Trp Ser

C24H32N6O9 (548.2230662)

Glu Arg Met Asn

C20H36N8O8S (548.2376696)

Glu Arg Asn Met

C20H36N8O8S (548.2376696)

Glu Ser Gln Trp

C24H32N6O9 (548.2230662)

Glu Ser Trp Gln

C24H32N6O9 (548.2230662)

Glu Thr His Tyr

C24H32N6O9 (548.2230662)

Glu Thr Asn Trp

C24H32N6O9 (548.2230662)

Glu Thr Trp Asn

C24H32N6O9 (548.2230662)

Glu Thr Tyr His

C24H32N6O9 (548.2230662)

Glu Trp Asn Thr

C24H32N6O9 (548.2230662)

Glu Trp Gln Ser

C24H32N6O9 (548.2230662)

Glu Trp Ser Gln

C24H32N6O9 (548.2230662)

Glu Trp Thr Asn

C24H32N6O9 (548.2230662)

Glu Tyr His Thr

C24H32N6O9 (548.2230662)

Glu Tyr Thr His

C24H32N6O9 (548.2230662)

Phe Asp His Met

C24H32N6O7S (548.2053082)

Phe Asp Met His

C24H32N6O7S (548.2053082)

Phe Gly Tyr Tyr

C29H32N4O7 (548.2270882)

Phe His Asp Met

C24H32N6O7S (548.2053082)

Phe His Met Asp

C24H32N6O7S (548.2053082)

Phe Met Asp His

C24H32N6O7S (548.2053082)

Phe Met His Asp

C24H32N6O7S (548.2053082)

Phe Tyr Gly Tyr

C29H32N4O7 (548.2270882)

Phe Tyr Tyr Gly

C29H32N4O7 (548.2270882)

Gly Phe Tyr Tyr

C29H32N4O7 (548.2270882)

Gly Thr Trp Trp

C28H32N6O6 (548.2383212)

Gly Trp Thr Trp

C28H32N6O6 (548.2383212)

Gly Trp Trp Thr

C28H32N6O6 (548.2383212)

Gly Tyr Phe Tyr

C29H32N4O7 (548.2270882)

Gly Tyr Tyr Phe

C29H32N4O7 (548.2270882)

His Asp Asp Tyr

C23H28N6O10 (548.1866828)

His Asp Phe Met

C24H32N6O7S (548.2053082)

His Asp Met Phe

C24H32N6O7S (548.2053082)

His Asp Tyr Asp

C23H28N6O10 (548.1866828)

His Glu Thr Tyr

C24H32N6O9 (548.2230662)

His Glu Tyr Thr

C24H32N6O9 (548.2230662)

His Phe Asp Met

C24H32N6O7S (548.2053082)

His Phe Met Asp

C24H32N6O7S (548.2053082)

His Met Asp Phe

C24H32N6O7S (548.2053082)

His Met Phe Asp

C24H32N6O7S (548.2053082)

His Met Met Met

C21H36N6O5S3 (548.1909206)

His Thr Glu Tyr

C24H32N6O9 (548.2230662)

His Thr Tyr Glu

C24H32N6O9 (548.2230662)

His Tyr Asp Asp

C23H28N6O10 (548.1866828)

His Tyr Glu Thr

C24H32N6O9 (548.2230662)

His Tyr Thr Glu

C24H32N6O9 (548.2230662)

Met Asp Phe His

C24H32N6O7S (548.2053082)

Met Asp His Phe

C24H32N6O7S (548.2053082)

Met Asp Gln Arg

C20H36N8O8S (548.2376696)

Met Asp Arg Gln

C20H36N8O8S (548.2376696)

Met Glu Asn Arg

C20H36N8O8S (548.2376696)

Met Glu Arg Asn

C20H36N8O8S (548.2376696)

Met Phe Asp His

C24H32N6O7S (548.2053082)

Met Phe His Asp

C24H32N6O7S (548.2053082)

Met His Asp Phe

C24H32N6O7S (548.2053082)

Met His Phe Asp

C24H32N6O7S (548.2053082)

Met His Met Met

C21H36N6O5S3 (548.1909206)

Met Met His Met

C21H36N6O5S3 (548.1909206)

Met Met Met His

C21H36N6O5S3 (548.1909206)

Met Asn Glu Arg

C20H36N8O8S (548.2376696)

Met Asn Arg Glu

C20H36N8O8S (548.2376696)

Met Gln Asp Arg

C20H36N8O8S (548.2376696)

Met Gln Arg Asp

C20H36N8O8S (548.2376696)

Met Arg Asp Gln

C20H36N8O8S (548.2376696)

Met Arg Glu Asn

C20H36N8O8S (548.2376696)

Met Arg Asn Glu

C20H36N8O8S (548.2376696)

Met Arg Gln Asp

C20H36N8O8S (548.2376696)

Asn Asp Asp Trp

C23H28N6O10 (548.1866828)

Asn Asp Trp Asp

C23H28N6O10 (548.1866828)

Asn Glu Met Arg

C20H36N8O8S (548.2376696)

Asn Glu Arg Met

C20H36N8O8S (548.2376696)

Asn Glu Thr Trp

C24H32N6O9 (548.2230662)

Asn Glu Trp Thr

C24H32N6O9 (548.2230662)

Asn Met Glu Arg

C20H36N8O8S (548.2376696)

Asn Met Arg Glu

C20H36N8O8S (548.2376696)

Asn Arg Glu Met

C20H36N8O8S (548.2376696)

Asn Arg Met Glu

C20H36N8O8S (548.2376696)

Asn Thr Glu Trp

C24H32N6O9 (548.2230662)

Asn Thr Trp Glu

C24H32N6O9 (548.2230662)

Asn Trp Asp Asp

C23H28N6O10 (548.1866828)

Asn Trp Glu Thr

C24H32N6O9 (548.2230662)

Asn Trp Thr Glu

C24H32N6O9 (548.2230662)

Gln Asp Met Arg

C20H36N8O8S (548.2376696)

Gln Asp Arg Met

C20H36N8O8S (548.2376696)

Gln Asp Thr Trp

C24H32N6O9 (548.2230662)

Gln Asp Trp Thr

C24H32N6O9 (548.2230662)

Gln Glu Ser Trp

C24H32N6O9 (548.2230662)

Gln Glu Trp Ser

C24H32N6O9 (548.2230662)

Gln Met Asp Arg

C20H36N8O8S (548.2376696)

Gln Met Arg Asp

C20H36N8O8S (548.2376696)

Gln Arg Asp Met

C20H36N8O8S (548.2376696)

Gln Arg Met Asp

C20H36N8O8S (548.2376696)

Gln Ser Glu Trp

C24H32N6O9 (548.2230662)

Gln Ser Trp Glu

C24H32N6O9 (548.2230662)

Gln Thr Asp Trp

C24H32N6O9 (548.2230662)

Gln Thr Trp Asp

C24H32N6O9 (548.2230662)

Gln Trp Asp Thr

C24H32N6O9 (548.2230662)

Gln Trp Glu Ser

C24H32N6O9 (548.2230662)

Gln Trp Ser Glu

C24H32N6O9 (548.2230662)

Gln Trp Thr Asp

C24H32N6O9 (548.2230662)

Arg Asp Met Gln

C20H36N8O8S (548.2376696)

Arg Asp Gln Met

C20H36N8O8S (548.2376696)

Arg Glu Met Asn

C20H36N8O8S (548.2376696)

Arg Glu Asn Met

C20H36N8O8S (548.2376696)

Arg Met Asp Gln

C20H36N8O8S (548.2376696)

Arg Met Glu Asn

C20H36N8O8S (548.2376696)

Arg Met Asn Glu

C20H36N8O8S (548.2376696)

Arg Met Gln Asp

C20H36N8O8S (548.2376696)

Arg Asn Glu Met

C20H36N8O8S (548.2376696)

Arg Asn Met Glu

C20H36N8O8S (548.2376696)

Arg Gln Asp Met

C20H36N8O8S (548.2376696)

Arg Gln Met Asp

C20H36N8O8S (548.2376696)

Ser Ala Trp Trp

C28H32N6O6 (548.2383212)

Ser Glu Gln Trp

C24H32N6O9 (548.2230662)

Ser Glu Trp Gln

C24H32N6O9 (548.2230662)

Ser Gln Glu Trp

C24H32N6O9 (548.2230662)

Ser Gln Trp Glu

C24H32N6O9 (548.2230662)

Ser Trp Ala Trp

C28H32N6O6 (548.2383212)

Ser Trp Glu Gln

C24H32N6O9 (548.2230662)

Ser Trp Gln Glu

C24H32N6O9 (548.2230662)

Ser Trp Trp Ala

C28H32N6O6 (548.2383212)

Thr Cys Tyr Tyr

C25H32N4O8S (548.1940752)

Thr Asp Gln Trp

C24H32N6O9 (548.2230662)

Thr Asp Trp Gln

C24H32N6O9 (548.2230662)

Thr Glu His Tyr

C24H32N6O9 (548.2230662)

Thr Glu Asn Trp

C24H32N6O9 (548.2230662)

Thr Glu Trp Asn

C24H32N6O9 (548.2230662)

Thr Glu Tyr His

C24H32N6O9 (548.2230662)

Thr Gly Trp Trp

C28H32N6O6 (548.2383212)

Thr His Glu Tyr

C24H32N6O9 (548.2230662)

Thr His Tyr Glu

C24H32N6O9 (548.2230662)

Thr Asn Glu Trp

C24H32N6O9 (548.2230662)

Thr Asn Trp Glu

C24H32N6O9 (548.2230662)

Thr Gln Asp Trp

C24H32N6O9 (548.2230662)

Thr Gln Trp Asp

C24H32N6O9 (548.2230662)

Thr Trp Asp Gln

C24H32N6O9 (548.2230662)

Thr Trp Glu Asn

C24H32N6O9 (548.2230662)

Thr Trp Gly Trp

C28H32N6O6 (548.2383212)

Thr Trp Asn Glu

C24H32N6O9 (548.2230662)

Thr Trp Gln Asp

C24H32N6O9 (548.2230662)

Thr Trp Trp Gly

C28H32N6O6 (548.2383212)

Thr Tyr Cys Tyr

C25H32N4O8S (548.1940752)

Thr Tyr Glu His

C24H32N6O9 (548.2230662)

Thr Tyr His Glu

C24H32N6O9 (548.2230662)

Thr Tyr Tyr Cys

C25H32N4O8S (548.1940752)

Trp Ala Ser Trp

C28H32N6O6 (548.2383212)

Trp Ala Trp Ser

C28H32N6O6 (548.2383212)

Trp Asp Asp Asn

C23H28N6O10 (548.1866828)

Trp Asp Asn Asp

C23H28N6O10 (548.1866828)

Trp Asp Gln Thr

C24H32N6O9 (548.2230662)

Trp Asp Thr Gln

C24H32N6O9 (548.2230662)

Trp Glu Asn Thr

C24H32N6O9 (548.2230662)

Trp Glu Gln Ser

C24H32N6O9 (548.2230662)

Trp Glu Ser Gln

C24H32N6O9 (548.2230662)

Trp Glu Thr Asn

C24H32N6O9 (548.2230662)

Trp Gly Thr Trp

C28H32N6O6 (548.2383212)

Trp Gly Trp Thr

C28H32N6O6 (548.2383212)

Trp Asn Asp Asp

C23H28N6O10 (548.1866828)

Trp Asn Glu Thr

C24H32N6O9 (548.2230662)

Trp Asn Thr Glu

C24H32N6O9 (548.2230662)

Trp Gln Asp Thr

C24H32N6O9 (548.2230662)

Trp Gln Glu Ser

C24H32N6O9 (548.2230662)

Trp Gln Ser Glu

C24H32N6O9 (548.2230662)

Trp Gln Thr Asp

C24H32N6O9 (548.2230662)

Trp Ser Ala Trp

C28H32N6O6 (548.2383212)

Trp Ser Glu Gln

C24H32N6O9 (548.2230662)

Trp Ser Gln Glu

C24H32N6O9 (548.2230662)

Trp Ser Trp Ala

C28H32N6O6 (548.2383212)

Trp Thr Asp Gln

C24H32N6O9 (548.2230662)

Trp Thr Glu Asn

C24H32N6O9 (548.2230662)

Trp Thr Gly Trp

C28H32N6O6 (548.2383212)

Trp Thr Asn Glu

C24H32N6O9 (548.2230662)

Trp Thr Gln Asp

C24H32N6O9 (548.2230662)

Trp Thr Trp Gly

C28H32N6O6 (548.2383212)

Trp Trp Ala Ser

C28H32N6O6 (548.2383212)

Trp Trp Gly Thr

C28H32N6O6 (548.2383212)

Trp Trp Ser Ala

C28H32N6O6 (548.2383212)

Trp Trp Thr Gly

C28H32N6O6 (548.2383212)

Tyr Cys Thr Tyr

C25H32N4O8S (548.1940752)

Tyr Cys Tyr Thr

C25H32N4O8S (548.1940752)

Tyr Asp Asp His

C23H28N6O10 (548.1866828)

Tyr Asp His Asp

C23H28N6O10 (548.1866828)

Tyr Glu His Thr

C24H32N6O9 (548.2230662)

Tyr Glu Thr His

C24H32N6O9 (548.2230662)

Tyr Phe Gly Tyr

C29H32N4O7 (548.2270882)

Tyr Phe Tyr Gly

C29H32N4O7 (548.2270882)

Tyr Gly Phe Tyr

C29H32N4O7 (548.2270882)

Tyr Gly Tyr Phe

C29H32N4O7 (548.2270882)

Tyr His Glu Thr

C24H32N6O9 (548.2230662)

Tyr His Thr Glu

C24H32N6O9 (548.2230662)

Tyr Thr Cys Tyr

C25H32N4O8S (548.1940752)

Tyr Thr Glu His

C24H32N6O9 (548.2230662)

Tyr Thr His Glu

C24H32N6O9 (548.2230662)

Tyr Thr Tyr Cys

C25H32N4O8S (548.1940752)

Tyr Tyr Cys Thr

C25H32N4O8S (548.1940752)

Tyr Tyr Phe Gly

C29H32N4O7 (548.2270882)

Tyr Tyr Gly Phe

C29H32N4O7 (548.2270882)

Tyr Tyr Thr Cys

C25H32N4O8S (548.1940752)

GRSDD

C19H32N8O11 (548.2190442)

3β-ACETOXY-23-BROMO-ISOALLOSPIROST-9 (11)-ENE-12-ONE

C29H41BrO5 (548.2137196)

5-O-DMT-2-ara-F-2-dU

C30H29FN2O7 (548.1958695999999)

quinine bisulfate heptahydrate

C20H40N2O13S (548.225099)

(+)-N,N-(1S,2S)-1,2-DIAMINOCYCLOHEXANEDIYLBIS(2-PYRIDINECARBOXAMIDE)

C30H32N2O8 (548.2158552)

Fmoc-Dap(Fmoc)-OH

C33H28N2O6 (548.1947268)

Almorexant HCI

C29H32ClF3N2O3 (548.2053428)

H-Cys-Val-2-Nal-Met-OH

C26H36N4O5S2 (548.2127006000001)

Fmoc-Gln(Tmob)-OH

C30H32N2O8 (548.2158552)

5-DMT-2-F-dU

C30H29FN2O7 (548.1958695999999)

2'-Deoxy-5'-O-DMT-2'-fluorouridine, a nucleoside analogue, is a 5’-O-DMTr-5-FUDR derivative with potent anti-yellow fever (YFV) activity[1].

butane-1,4-diol,ethane-1,2-diol,hexanedioic acid,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

C27H36N2O10 (548.2369836)

Diltiazem malate

C26H32N2O9S (548.1828422)

C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

Leniolisib Phosphate

C21H28F3N6O6P (548.1759953999999)

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

1,2-Bis(2-aminophenoxy)ethane N,N,N,N-tetraacetic acid acetoxymethyl ester

C25H28N2O12 (548.1642168000001)

D064449 - Sequestering Agents > D002614 - Chelating Agents

Bruceanol F

C28H36O11 (548.2257506)

A quassinoid isolated from Brucea antidysenterica and has been shown to exhibit in vitro cytotoxicity towards several human tumour cell lines.

3,6-Bis(dimethylamino)-10-{4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}acridinium perchlorate

C25H29ClN4O8 (548.1673824000001)

Belumosudil Mesylate

C27H28N6O5S (548.1841798)

C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor

CID 73157790

C23H32O15 (548.1741122)

Sibiricose A1is an oligosaccharide ester that can be found in Polygala tenuifolia[1].

[(2R,3R,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxy-4-(methylamino)oxan-3-yl] dihydrogen phosphate

C18H37N4O13P (548.2094642)

PA(2:0/PGE2)

C25H41O11P (548.2386366)

PA(PGE2/2:0)

C25H41O11P (548.2386366)

PA(2:0/PGD2)

C25H41O11P (548.2386366)

PA(PGD2/2:0)

C25H41O11P (548.2386366)

PA(2:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C25H41O11P (548.2386366)

PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/2:0)

C25H41O11P (548.2386366)

Picras-3-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-,methyl ester, (1beta,11beta,12alpha,15beta(E))-

C28H36O11 (548.2257506)

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C29H32N4O3S2 (548.1915722)

1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C29H32N4O3S2 (548.1915722)

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

(3R)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

C30H32N2O6S (548.1980972)

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

C27H36N2O6S2 (548.2014676)

1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

(2R)-2-[(4S,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C31H36N2O5S (548.2344806)

(2S)-2-[(4S,5R)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C31H36N2O5S (548.2344806)

1-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

C27H31F3N4O5 (548.2246432)

2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

C29H32N4O5S (548.2093302)

(3S)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

C30H32N2O6S (548.1980972)

(1S)-N1-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]-1,2-dicarboxamide

C28H29FN6O5 (548.2183355999999)

Edoxaban(1+)

C24H31ClN7O4S+ (548.1846656)

7-hydroxyflavanone 7-O-[beta-L-rhamnosyl-(1->2)-beta-D-glucoside]

C27H32O12 (548.1893672)

4-[[4-(dimethylamino)phenyl]methyl]-1-methyl-2-phenyl-4a,8a-dihydro-4H-pyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonic acid

C27H29F3N3O4S+ (548.183077)

6-[4-[3-(4,5-Dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-oxopropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H32O12 (548.1893672)

6-[(10-Butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-prop-2-enyl-3,4-dihydropyrano[3,2-g]chromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H32O12 (548.1893672)

bruceanol D

C28H36O11 (548.2257506)

A quassinoid natural product found in Brucea antidysenterica consisting of a heteropentacyclic skeleton containing a delta-lactone moiety which is substituted at the alpha-carbon by a (2E)-3,4-dimethylpent-2-enoyloxy group. It shows significant in vitro cytotoxicity towards several human tumour cell lines.

SQMG 16:4

C25H40O11S (548.2291210000001)

LPGP 15:1

C21H42O12P2 (548.2151392000001)

ST 18:1;O8;GlcA

C24H36O14 (548.2104956000001)

ST 21:6;O6;GlcA

C27H32O12 (548.1893672)

ST 22:5;O5;GlcA

C28H36O11 (548.2257506)

ST 22:6;O6;Hex

C28H36O11 (548.2257506)

ST 25:2;O8;S

C25H40O11S (548.2291210000001)

ST 28:7;O6;S

C28H36O9S (548.2079926)

3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

C27H32O12 (548.1893672)

(1s,4as,7as)-7-({[(3r,4e)-3-hydroxy-5-phenylpent-4-enoyl]oxy}methyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C27H32O12 (548.1893672)

(3s,4s,4as,6r)-7-{2-[(3s)-2,3-dihydroxyindol-3-yl]ethyl}-4-ethenyl-6-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyridin-8-one

C26H32N2O11 (548.2006001999999)

[2,12,14-tris(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl acetate

C28H36O11 (548.2257506)

methyl (2s,3r,4r,5s,6r)-3-(acetyloxy)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate

C30H28O10 (548.1682388)

(8r,21s)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol

C34H32N2O5 (548.2311102)

4-hydroxy-2,5-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl acetate

C34H32N2O5 (548.2311102)

(1r,2r,4s,6r,7s,9s,10s,11s,13r)-2,6,7-tris(acetyloxy)-13-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate

C28H36O11 (548.2257506)

3-{[(1s,3s)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

C26H32N2O9S (548.1828422)

(21s)-13,27-dihydroxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25,27,32,35-tridecaen-22-ium-22-olate

C33H28N2O6 (548.1947268)

7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,8-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C28H36O11 (548.2257506)

(2s,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

arillanin c

C23H32O15 (548.1741122)

{"Ingredient_id": "HBIN016743","Ingredient_name": "arillanin c","Alias": "NA","Ingredient_formula": "C23H32O15","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1683","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

16,27-dimethoxy-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25(33),26,28(32)-dodecaen-13-ol

C34H32N2O5 (548.2311102)

(1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate

C28H36O11 (548.2257506)

(8s,21s)-16,27-dimethoxy-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25(33),26,28(32)-dodecaen-13-ol

C34H32N2O5 (548.2311102)

(8s,21r)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol

C34H32N2O5 (548.2311102)

12-acetyl-9,15-dihydroxy-13-(2-hydroxypropyl)-5,10,14,19-tetramethoxyhexacyclo[11.8.0.0²,¹¹.0³,⁸.0⁴,²⁰.0¹⁶,²¹]henicosa-1,3,5,8,10,15,18,20-octaene-7,17-dione

C30H28O10 (548.1682388)

(12s,13r,14s)-12-acetyl-9,15-dihydroxy-13-(2-hydroxypropyl)-5,10,14,19-tetramethoxyhexacyclo[11.8.0.0²,¹¹.0³,⁸.0⁴,²⁰.0¹⁶,²¹]henicosa-1,3,5,8,10,15,18,20-octaene-7,17-dione

C30H28O10 (548.1682388)

[(1s,2s,3s,4r,7s,8e,10e,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10,16-trien-9-yl]methyl acetate

C28H36O11 (548.2257506)

(2r,3r,4s,5r,6r)-3-hydroxy-6-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-2-(hydroxymethyl)-5-{[2-(4-hydroxyphenyl)acetyl]oxy}oxan-4-yl 2-(3,4-dihydroxyphenyl)acetate

C27H32O12 (548.1893672)

methyl 3-[(1r,2r,4s,7r,8s,11r,12r,13r,17s)-13,17-dihydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.0²,⁴.0²,⁸.0¹³,¹⁷]heptadecan-12-yl]prop-2-enoate

C27H32O12 (548.1893672)

(1s,2s,5s,6s,7s,8r,9r,12r)-8,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,5-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H36O11 (548.2257506)

(2r,2's,2''s,4'as,5'r,5''s,6'r,8's,8'ar)-2',2'',8'-tris(acetyloxy)-5''-(furan-3-yl)-6'-methyl-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate

C28H36O11 (548.2257506)

(1ar,3r,3ar,4r,5r,6r,7as)-4,5-bis(acetyloxy)-6-[(3r,4r)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxirene-3-carboxylic acid

C28H36O11 (548.2257506)

2-{[1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O11 (548.2257506)

(2e)-3-[(2s,3r)-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

C27H32O12 (548.1893672)

methyl (2r,3r,6r,8s,12s,13s,14s,15r,16r,17r)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,19-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C28H36O11 (548.2257506)

(2s,3r,4s,5s,7s,9s,10e,13s)-2,4,5-tris(acetyloxy)-13-hydroxy-5,9,12,12-tetramethyl-8,14-dioxotricyclo[11.2.1.0³,⁷]hexadeca-1(15),10-dien-7-yl acetate

C28H36O11 (548.2257506)

methyl 3-(acetyloxy)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate

C30H28O10 (548.1682388)

[(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl acetate

C28H36O11 (548.2257506)

(1s,2s,5s,6s,7s,8r,9r,12r)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,8-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H36O11 (548.2257506)

1,8-dihydroxy-9-[(2r,4r,5s,6r)-4-hydroxy-5-{[(2s,5r,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-3-methyltetraphene-7,12-dione

C31H32O9 (548.2046222)

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

1-[2-hydroxy-3,5-dimethyl-4,6-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-2-methylpropan-1-one

C24H36O14 (548.2104956000001)

2-{[3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O11 (548.2257506)

3-{[3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

C26H32N2O9S (548.1828422)

methyl 3-[(3,4-dimethylpent-2-enoyl)oxy]-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C28H36O11 (548.2257506)

{3,4,5-trihydroxy-6-[2-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C27H32O12 (548.1893672)

(2r,3r,4s,5s,6r)-2-{[(1s,2r)-1,5-bis(3,4-dimethoxyphenyl)-1-methoxypent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O11 (548.2257506)

2-(9-{[3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl)-1-(furan-3-yl)ethyl acetate

C28H36O11 (548.2257506)

2-{[3-(acetyloxy)-2-methyl-2-[(2-methylbut-2-enoyl)oxy]butanoyl]oxy}-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)propyl 2-methylbut-2-enoate

C28H36O11 (548.2257506)

(21s,22s)-13,27-dihydroxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25,27,32,35-tridecaen-22-ium-22-olate

C33H28N2O6 (548.1947268)

methyl (2z)-3-[(1r,2r,4s,7r,8s,11r,12r,13r,17s)-13,17-dihydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.0²,⁴.0²,⁸.0¹³,¹⁷]heptadecan-12-yl]prop-2-enoate

C27H32O12 (548.1893672)

2,4,5-tris(acetyloxy)-13-hydroxy-5,9,12,12-tetramethyl-8,14-dioxotricyclo[11.2.1.0³,⁷]hexadeca-1(15),10-dien-7-yl acetate

C28H36O11 (548.2257506)

(3s,4r,4as,6r)-7-{2-[(3s)-2,3-dihydroxyindol-3-yl]ethyl}-4-ethenyl-6-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyridin-8-one

C26H32N2O11 (548.2006001999999)

(1r,2r,7r,8z,11s,12s,13s,14r,16r,18s)-2,11,12-tris(acetyloxy)-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.0³,⁷.0¹⁶,¹⁸]octadeca-3,8-dien-14-yl acetate

C28H36O11 (548.2257506)

methyl 2-(furan-3-yl)-6a,10b-dimethyl-4,9-dioxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate

C27H32O12 (548.1893672)

n-[7,10-dimethyl-12-(2-methylpropyl)-2,5,9,11-tetraoxo-3-(sec-butyl)-1,4,8-trioxacyclododecan-6-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid

C27H36N2O10 (548.2369836)

1-[(2r,3s,4s,5r,6r)-3,4-dihydroxy-5-{[(2r,3s)-6-hydroxy-2-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-yl]oxy}-6-methoxyoxan-2-yl]methyl 4-methyl butanedioate

C27H32O12 (548.1893672)

4-hydroxy-2,5-bis[2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl acetate

C34H32N2O5 (548.2311102)

4-[3-chloro-2,4-dihydroxy-6-(2-oxoheptyl)benzoyloxy]-2-hydroxy-6-(2-oxoheptyl)benzoic acid

C28H33ClO9 (548.1812998)

(8s,21s)-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),10,12,14(37),16,18,25(33),26,28(32),35-dodecaene-13,27-diol

C34H32N2O5 (548.2311102)

methyl (10s,11r,12r,13s,14r)-11-(acetyloxy)-10-hydroxy-8-methoxy-14-(4-methoxyphenyl)-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1,3(7),8-triene-12-carboxylate

C30H28O10 (548.1682388)

methyl (2s,6s,6ar,10as,10bs)-2-(furan-3-yl)-6a,10b-dimethyl-4,9-dioxo-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate

C27H32O12 (548.1893672)

1,8-dihydroxy-9-{4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}-3-methyltetraphene-7,12-dione

C31H32O9 (548.2046222)

5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,8-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H36O11 (548.2257506)

(8r,21r)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol

C34H32N2O5 (548.2311102)

(21s,22r)-13,27-dihydroxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25,27,32,35-tridecaen-22-ium-22-olate

C33H28N2O6 (548.1947268)

(1r,2r,4s,7r,8s,10s,11s,12r,13s,18s)-7-[(5r)-5-ethoxy-2-oxo-5h-furan-3-yl]-10,13-dihydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosane-5,15,20-trione

C28H36O11 (548.2257506)

(1s,2s,3s,7s,8r,9r,10s,12z,14s,17r)-7,9,10-tris(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-2-yl acetate

C28H36O11 (548.2257506)

(2s,3r,4s,5s,6r)-2-{[(2r,3s,4s)-3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H36O11 (548.2257506)

[(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)

2',2'',8'-tris(acetyloxy)-5''-(furan-3-yl)-6'-methyl-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate

C28H36O11 (548.2257506)

(2s,3r,4s,5s,7s,9s,10e,13r)-2,4,5-tris(acetyloxy)-13-hydroxy-5,9,12,12-tetramethyl-8,14-dioxotricyclo[11.2.1.0³,⁷]hexadeca-1(15),10-dien-7-yl acetate

C28H36O11 (548.2257506)

methyl 11-(acetyloxy)-10-hydroxy-8-methoxy-14-(4-methoxyphenyl)-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadeca-1(9),2,7-triene-12-carboxylate

C30H28O10 (548.1682388)

1-[3,4-dihydroxy-5-({6-hydroxy-2-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-yl}oxy)-6-methoxyoxan-2-yl]methyl 4-methyl butanedioate

C27H32O12 (548.1893672)

(2s)-2,6-dimethoxy-7-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2h-1-benzofuran-3-one

C23H32O15 (548.1741122)

methyl (1r,2s,3r,6r,8s,9s,13s,14s,15r,16s,17r)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,12-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-10-ene-17-carboxylate

C28H36O11 (548.2257506)

(8s,21s)-13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25,27,30(34),32,35-dodecaene

C34H32N2O5 (548.2311102)

7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),10,12,14(37),16,18,25(33),26,28(32),35-dodecaene-13,27-diol

C34H32N2O5 (548.2311102)

9,16-dihydroxy-12,13-bis(1-hydroxyethyl)-5,10,15,20-tetramethoxyhexacyclo[12.8.0.0²,¹¹.0³,⁸.0⁴,²¹.0¹⁷,²²]docosa-1(14),2(11),3(8),4(21),5,9,15,17(22),19-nonaene-7,18-dione

C30H28O10 (548.1682388)

7-(5-ethoxy-2-oxo-5h-furan-3-yl)-10,13-dihydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosane-5,15,20-trione

C28H36O11 (548.2257506)

(2r,3s)-3-(acetyloxy)-1-{[(1s,2r)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-1-{[(2z)-2-methylbut-2-enoyl]oxy}propan-2-yl]oxy}-2-methyl-1-oxobutan-2-yl (2z)-2-methylbut-2-enoate

C28H36O11 (548.2257506)

3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

C26H32N2O9S (548.1828422)

7-[2-(2,3-dihydroxyindol-3-yl)ethyl]-4-ethenyl-6-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyridin-8-one

C26H32N2O11 (548.2006001999999)

7-{[(3-hydroxy-5-phenylpent-4-enoyl)oxy]methyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C27H32O12 (548.1893672)

(2r,3r,4s,5r,6r)-3-{[2-(3,4-dihydroxyphenyl)acetyl]oxy}-5-hydroxy-2-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl 2-(4-hydroxyphenyl)acetate

C27H32O12 (548.1893672)

(8s,21s)-27-methoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol

C34H32N2O5 (548.2311102)

(8r,21s)-16,27-dimethoxy-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25(33),26,28(32)-dodecaen-13-ol

C34H32N2O5 (548.2311102)

(1s,2s,5s,6s,7s,8s,9r,12r)-7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,8-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C28H36O11 (548.2257506)

2,11,12-tris(acetyloxy)-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.0³,⁷.0¹⁶,¹⁸]octadeca-3,8-dien-14-yl acetate

C28H36O11 (548.2257506)

27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol

C34H32N2O5 (548.2311102)

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenoxy]oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C27H32O12 (548.1893672)

(8s,21s)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-13-ol

C34H32N2O5 (548.2311102)

4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

C23H32O15 (548.1741122)