Exact Mass: 510.2684806

Physagulin A

15-[1-(4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadeca-4,14-dien-13-yl acetic acid

Physagulin A is found in fruits. Physagulin A is a constituent of the famine food Physalis angulata (cutleaf ground cherry).

(2S,3S,4R)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Butanediamide, N4-(5-(acetylamino)-1-((methylamino)carbonyl)pentyl)-N1-hydroxy-2-(((4-hydroxyphenyl)thio)methyl)-3-(2-methylpropyl)-, (2S-(N4(R),2R,3S*))-

Butanediamide, N4-(5-(acetylamino)-1-((methylamino)carbonyl)pentyl)-N1-hydroxy-2-(((4-hydroxyphenyl)thio)methyl)-3-(2-methylpropyl)-, (2S-(N4(R*),2R*,3S*))-

C24H38N4O6S (510.2511928)

PA(2:0/18:1(12Z)-2OH(9,10))

[(2R)-3-(acetyloxy)-2-{[(9S,10S,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}propoxy]phosphonic acid

C23H43O10P (510.2593708)

PA(2:0/18:1(12Z)-2OH(9,10)) 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(2:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl 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(18:1(12Z)-2OH(9,10)/2:0)

[(2R)-2-(acetyloxy)-3-{[(9R,10R,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}propoxy]phosphonic acid

C23H43O10P (510.2593708)

PA(18:1(12Z)-2OH(9,10)/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(18:1(12Z)-2OH(9,10)/2:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl 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).

A stilbenoid isolated from Macaranga alnifolia and has been shwon to exhibit cytotoxic activity.

Longipedlactone G

(-)-Longipedlactone G

astrogorgin H

C27H42O9 (510.28286820000005)

3a-hydroxy-8-methyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indole-2-carboxylic acid 2-acetoxy-8a-hydroxy-5-isopropenyl-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl ester|fischerindoline

kaunial

Antibiotic A 40104A

C27H42O9 (510.28286820000005)

5alpha,7beta,10beta,13alpha-tetrahydroxy-2alpha,9alpha,15-triacetoxy-11(15->1)-abeo-taxa-4(20)11-diene|5??,7??,10??,13??-Tetrahydroxy-2??,9??,15-triacetoxy-11(15鈥樏傗垎1)-abeo-taxa-4(20),11-diene

Nebramycin factor 11

Zeylasterone is a natural product found in Maytenus woodsonii, Kokoona reflexa, and Celastrus paniculatus with data available.

[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate

NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate

C23H42O12 (510.2676132)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate

NCGC00380318-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate

C23H42O12 (510.2676132)

2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid

NCGC00169113-03!2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid

C26H38O10

NCGC00381164-01_C26H38O10_

Tobramycin 1-N- or 3-N-carbamoyl

Tobramycin 2 -N- or 6 -N-carbamoyl

[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]

NCGC00381416-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]

ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyrasyl ester

Fmoc-L-Lys(Boc,iPr)-OH

Atrasentan

C28H30N8O2 (510.24915999999996)

C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists > D065130 - Endothelin A Receptor Antagonists D000970 - Antineoplastic Agents

Bis(tri-t-butylphosphine)palladium

C24H54P2Pd (510.2735294)

Imatinib (Pyridine)-N-Oxide

C29H32N7O2- (510.2617352)

1,2-BIS[BIS(3,5-DIMETHYLPHENYL)PHOSPHINO]ETHANE

C34H40P2 (510.26051)

2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-imidazo[4,5-c]pyridinyl]-N,N-dimethylacetamide

Tetrahydroasterriquinone

(1s,2r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadeca-4,14-dien-13-yl acetate

(1s,2r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadeca-4,14-dien-13-yl acetate

(1r,2r,4s,10s,11r,13s,14r,19r)-1,11-dihydroxy-9,9,14-trimethyl-17-[(1r)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁹]icosa-5,16-dien-7-one

(1r,2r,4s,10s,11r,13s,14r,19r)-1,11-dihydroxy-9,9,14-trimethyl-17-[(1r)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁹]icosa-5,16-dien-7-one

{"Ingredient_id": "HBIN016523","Ingredient_name": "applanoxidic acid F","Alias": "NA","Ingredient_formula": "C30H38O7","Ingredient_Smile": "CC(CC(=O)C=C(C)C1CC(=O)C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(=O)C5(C)C)C)C)C)C(=O)O","Ingredient_weight": "510.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101664507","DrugBank_id": "NA"}

(1s,2r,4r,12r,15s,16s,18r,19r,20r,21s,26s)-4,18-dihydroxy-11,11,16,20,24-pentamethyl-10,22,28-trioxaheptacyclo[17.8.1.0¹,¹⁹.0²,¹⁶.0⁴,¹⁵.0⁶,¹².0²¹,²⁶]octacosa-5,7,24-triene-9,23-dione

(1s,2r,4r,12r,15s,16s,18r,19r,20r,21s,26s)-4,18-dihydroxy-11,11,16,20,24-pentamethyl-10,22,28-trioxaheptacyclo[17.8.1.0¹,¹⁹.0²,¹⁶.0⁴,¹⁵.0⁶,¹².0²¹,²⁶]octacosa-5,7,24-triene-9,23-dione

(1r,3s,3as,3br,9ar,9bs,11as)-1,3-dihydroxy-9a,11a-dimethyl-1-[(1r)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one

(1s,2s,4s,5r,10r,11s,14s,15z,16s,18s)-15-{1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethylidene}-5-hydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-16-yl acetate

(1s,2s,4s,5r,10r,11s,14s,15z,16s,18s)-15-{1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethylidene}-5-hydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-16-yl acetate

(1s,2r,4ar,5r,8r,8ar)-2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl (2s,3ar,8ar)-3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate

(1s,2r,4ar,5r,8r,8ar)-2-(acetyloxy)-8a-hydroxy-3,8-dimethyl-5-(prop-1-en-2-yl)-2,4a,5,6,7,8-hexahydro-1h-naphthalen-1-yl (2s,3ar,8ar)-3a-hydroxy-8-methyl-1h,2h,3h,8ah-pyrrolo[2,3-b]indole-2-carboxylate

(2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate

(1s,3ar,3bs,7s,9ar,11r,11as)-1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl (2e)-3-phenylprop-2-enoate

4a,6-dihydroxy-10a-methoxy-4,4,7,11b-tetramethyl-9-oxo-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl 3-phenylprop-2-enoate

(1r,2s,5s,11s,13r,14r,16r,19s,24r,25s,27r)-14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.0²,¹⁴.0⁵,¹¹.0¹¹,¹³.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-9,17(26),20-triene-8,22-dione

12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3ah-6'-oxaspiro[cyclohepta[b]furan-3,13'-tricyclo[8.4.0.0³,⁷]tetradecan]-11'-ene-2,5'-dione

(1's,3r,3'r,3as,7r,7'r,8as,9's,10's)-12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3ah-6'-oxaspiro[cyclohepta[b]furan-3,13'-tricyclo[8.4.0.0³,⁷]tetradecan]-11'-ene-2,5'-dione

(1's,3r,3'r,3as,7r,7'r,8as,9's,10's)-12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3ah-6'-oxaspiro[cyclohepta[b]furan-3,13'-tricyclo[8.4.0.0³,⁷]tetradecan]-11'-ene-2,5'-dione