Exact Mass: 566.2760686

Exact Mass Matches: 566.2760686

Found 500 metabolites which its exact mass value is equals to given mass value 566.2760686, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

alpha-Antiarin

Antiarigenin 3-O-beta-D-antiaroside

C29H42O11 (566.2726982)

DMP 323

C35H38N2O5 (566.2780577999999)

Canescein

7,11,17-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde

C29H42O11 (566.2726982)

Canescein is isolated from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the US

Hordatine A

N-[4-(Diaminomethylideneamino)butyl]-5-[(Z)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C28H38N8O5 (566.2965018)

Alkaloid from barley (Hordeum vulgare). Hordatine A is found in barley and cereals and cereal products. Hordatine A is found in barley. Hordatine A is an alkaloid from barley (Hordeum vulgare

Mesoporphyrin IX

3-[20-(2-carboxyethyl)-10,15-diethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid

C34H38N4O4 (566.2892908)

Mesoporphyrins are porphyrins with four methyl, two ethyl, and two propionic acid side chains attached to the pyrrole rings. There are fifteen isomers of mesoporphyrin. Mesoporphyrin has anti-inflammatory action. Mesoporphyrin inhibits interferon-gamma and interleukin-6 production, which is closely related to the suppression of prostaglandin E2 generation by interfering cyclooxygenase 1 and 2 enzyme activities suggesting that the inhibition of cytokine production is one of the anti-inflammatory mechanisms of mesoporphyrin. (PMID: 10446754). Mesoporphyrins are porphyrins with four methyl, two ethyl, and two propionic acid side chains attached to the pyrrole rings. There are fifteen isomers of mesoporphyrin.

(4r,5s,6s,7r)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one

(4alpha,5alpha,6beta,7beta)-Hexahydro-5,6-dihydroxy-1,3-bis((4-(hydroxymethyl)phenyl)methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one

C35H38N2O5 (566.2780577999999)

PA(2:0/6 keto-PGF1alpha)

[(2R)-3-(acetyloxy)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoyl}oxy)propoxy]phosphonic acid

C25H43O12P (566.2492007999999)

PA(2:0/6 keto-PGF1alpha) 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(2:0/6 keto-PGF1alpha), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha 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(6 keto-PGF1alpha/2:0)

[(2R)-2-(acetyloxy)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoyl}oxy)propoxy]phosphonic acid

C25H43O12P (566.2492007999999)

PA(6 keto-PGF1alpha/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(6 keto-PGF1alpha/2:0), in particular, consists of one chain of one 6-Keto-prostaglandin F1alpha 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/TXB2)

[(2R)-3-(acetyloxy)-2-{[(5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoyl]oxy}propoxy]phosphonic acid

C25H43O12P (566.2492007999999)

PA(2:0/TXB2) 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/TXB2), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Thromboxane B2 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(TXB2/2:0)

[(2R)-2-(acetyloxy)-3-{[(5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoyl]oxy}propoxy]phosphonic acid

C25H43O12P (566.2492007999999)

PA(TXB2/2:0) 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(TXB2/2:0), in particular, consists of one chain of one Thromboxane B2 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).

(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

peroxysampsone A|rel-(1R,3S,7S,9S,11R,13S)-11-benzoyl-3-(1-hydroperoxy-1-methylethyl)-6,6,10,10-tetramethyl-13-(3-methylbut-2-en-1-yl)-4,5-dioxatetracyclo[9.3.1.1(9,13).0(1,7)]hexadecane-12,14,15-trione

peroxysampsone A|rel-(1R,3S,7S,9S,11R,13S)-11-benzoyl-3-(1-hydroperoxy-1-methylethyl)-6,6,10,10-tetramethyl-13-(3-methylbut-2-en-1-yl)-4,5-dioxatetracyclo[9.3.1.1(9,13).0(1,7)]hexadecane-12,14,15-trione

C33H42O8 (566.2879532000001)

humanteniridine

C31H38N2O8 (566.2628028)

BRN 2931802

C32H38O9 (566.2515698)

(20S,22S,23S,24S,25S,26S)-5alpha-chloro-12alpha,22-23,26,24,25-triepoxy-12-ethoxy-6beta,17beta,26-trihydroxyergosta-2-en-1-one|12-O-ethyl-jaborosalactol 25|12-O-ethyljaborosalactol 25

C30H43ClO8 (566.2646308000001)

trigochinin G

C32H38O9 (566.2515698)

Lys Cys Val Ala Phe

C26H42N6O6S (566.2886392)

Thr Val Tyr Lys Gly

C26H42N6O8 (566.3063972)

Asn Tyr Arg Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]butanedioic acid

C23H34N8O9 (566.2448634)

Asn Tyr Asp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-5-carbamimidamidopentanoic acid

C23H34N8O9 (566.2448634)

Tyr Thr Gln Arg

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

C24H38N8O8 (566.2812468)

Tetradehydrolongicaudatine Y

C38H38N4O (566.3045458)

Okaramine B_120148

C33H34N4O5 (566.2529074)

C29H42O11

NCGC00380379-01_C29H42O11_

7,11,17-trihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-2-carbaldehyde

C29H42O11 (566.2726982)

PHHdiA-PA

1-hexadecanoyl-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphate

C26H47O11P (566.2855841999999)

cetyltriphenylphosphonium bromide

C34H48BrP (566.2676797999999)

2-(Dibenzylamino)-6-(diethylamino)fluoran

C38H34N2O3 (566.2569294)

Biotinoyl Tripeptide-1

C24H38N8O6S (566.2634888)

17-Desacetyl Rocuronium

C30H51BrN2O3 (566.3082836)

3-(TRIFLUOROMETHYL)PHENYLHYDRAZINEHYDROCHLORIDE

C37H44OP2 (566.2867234)

8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,18E,22aR)-

8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-diMethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-Methoxy-3,6-dioxo-, Methyl ester, (1aR,5S,8S,10R,18E,22aR)-

C30H38N4O7 (566.2740358)

Phenylmethyl 4,6-bis-O-(3-hydroxypropyl)-2,3-bis-O-(phenylmethyl)-alpha-D-glucopyranoside

C33H42O8 (566.2879532000001)

(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol,(2R)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol,dihydrochloride

C30H44Cl2N2O4 (566.2677964)

3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,11alpha,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide

C29H42O11 (566.2726982)

Protoporphyrinogen(2-)

C34H38N4O4-2 (566.2892908)

COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Dephospho-tetrahydromethanopterin

C25H38N6O9 (566.2700138)

kanamycin B 2-phosphate

C18H41N5O13P+3 (566.2438366)

3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C34H38N4O4 (566.2892908)

3-[(21S,22S)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,19,21,26-pentamethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,19,21,26-pentamethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-(1-hydroxyethyl)-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-11,26-diethyl-4-hydroxy-16-(1-hydroxyethyl)-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C34H38N4O4 (566.2892908)

S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] (Z)-tetradec-9-enethioate

C25H47N2O8PS (566.2790592)

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C25H43O12P (566.2492007999999)

(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C30H47O8P (566.3008391999999)

[1-phosphonooxy-3-[(E)-undec-4-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C30H47O8P (566.3008391999999)

Protoporphyrinogen(2-)

C34H38N4O4 (566.2892908)

Dicarboxylate anion of protoporphyrinogen.

N-[4-(Diaminomethylideneamino)butyl]-5-[(Z)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C28H38N8O5 (566.2965018)

S-tetradecanoyl-4-phosphopantetheine(2-)

C25H47N2O8PS (566.2790592)

An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-tetradecanoyl-4-phosphopantetheine; major species at pH 7.3.

leukotriene F4(2-)

(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(1z,4s,5r,14r,15s,16s,19z)-14,16-dihydroxy-15-methoxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetraazaoctacyclo[16.13.0.0³,¹⁶.0⁴,⁷.0⁴,¹⁴.0⁸,¹³.0²²,³⁰.0²⁴,²⁹]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione

(1z,4s,5r,14r,15s,16s,19z)-14,16-dihydroxy-15-methoxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetraazaoctacyclo[16.13.0.0³,¹⁶.0⁴,⁷.0⁴,¹⁴.0⁸,¹³.0²²,³⁰.0²⁴,²⁹]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione

C33H34N4O5 (566.2529074)

3-[5-(carboxymethyl)-9,14,20-triethyl-10,15,19-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoic acid

C34H38N4O4 (566.2892908)

4-[(1s,3s,5s,7r,9s,10r,12s,14s,15s,17r,18s,19r,22s,23r)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

4-[(1s,3s,5s,7r,9s,10r,12s,14s,15s,17r,18s,19r,22s,23r)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

C29H42O11 (566.2726982)

(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(1r,2r,4r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadec-5-en-17-yl (2e)-2-methylbut-2-enoate

(1r,2r,4r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadec-5-en-17-yl (2e)-2-methylbut-2-enoate

C32H38O9 (566.2515698)

methyl (19s,20s)-14-ethenyl-9-ethyl-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaene-4-carboxylate

methyl (19s,20s)-14-ethenyl-9-ethyl-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaene-4-carboxylate

C34H38N4O4 (566.2892908)

(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,11ar)-7-{[(2r,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(1z,19z)-14,16-dihydroxy-15-methoxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetraazaoctacyclo[16.13.0.0³,¹⁶.0⁴,⁷.0⁴,¹⁴.0⁸,¹³.0²²,³⁰.0²⁴,²⁹]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione

(1z,19z)-14,16-dihydroxy-15-methoxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetraazaoctacyclo[16.13.0.0³,¹⁶.0⁴,⁷.0⁴,¹⁴.0⁸,¹³.0²²,³⁰.0²⁴,²⁹]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione

C33H34N4O5 (566.2529074)

2-deacetoxy-7,9-dideacetyltaxinine j

C33H42O8 (566.2879532000001)

{"Ingredient_id": "HBIN005493","Ingredient_name": "2-deacetoxy-7,9-dideacetyltaxinine j","Alias": "NA","Ingredient_formula": "C33H42O8","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3O)OC(=O)C=CC4=CC=CC=C4)C)O)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4704","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5alpha-cinnamoyloxy-2alpha,13alpha-dihydroxy-9alpha,10beta-diacetoxy-4(20),11-taxadiene

5α-cinnamoyloxy-2α,13α-dihydroxy-9α,10β-diacetoxy-4(20),11-taxadiene

C33H42O8 (566.2879532000001)

{"Ingredient_id": "HBIN011411","Ingredient_name": "5alpha-cinnamoyloxy-2alpha,13alpha-dihydroxy-9alpha,10beta-diacetoxy-4(20),11-taxadiene","Alias": "5\u03b1-cinnamoyloxy-2\u03b1,13\u03b1-dihydroxy-9\u03b1,10\u03b2-diacetoxy-4(20),11-taxadiene","Ingredient_formula": "C33H42O8","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)CC1O)O)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30788;3714","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

antialloside

C29H42O11 (566.2726982)

{"Ingredient_id": "HBIN016302","Ingredient_name": "antialloside","Alias": "NA","Ingredient_formula": "C29H42O11","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O","Ingredient_weight": "566.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1374","TCMSP_id": "NA","TCM_ID_id": "6743;21611","PubChem_id": "56841093","DrugBank_id": "NA"}

β-antiarin

C29H42O11 (566.2726982)

C29H42O11 (566.2726982)

methyl 2-{[9a-hydroperoxy-3a,8-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-5-methyloxolane-3-carboxylate

C29H42O11 (566.2726982)

(1r,3as,3br,5as,7s,9as,9bs,11s,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,11s,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(2s)-2-[(2-methylbut-3-en-2-yl)amino]-3-phenyl-n-[(1s)-2-phenyl-1-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]propanimidic acid

C34H38N4O2S (566.2715328)

4-[(1s,3r,5s,7s,9r,10s,12r,14r,17r,18s,19r,22s)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

4-[(1s,3r,5s,7s,9r,10s,12r,14r,17r,18s,19r,22s)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

C29H42O11 (566.2726982)

(1r,3as,3br,5as,7s,9as,9bs,10r,11ar)-3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,10r,11ar)-3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(1r,3as,3br,5as,7s,9as,9bs,11ar)-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,11ar)-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

4,9,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-1h,2h,3h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H42O8 (566.2879532000001)

(1r,2r,5r,6r,10s,13s,14s,16s)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2,3-dimethylbut-2-enoate

C33H42O8 (566.2879532000001)

(1r,3as,3br,5as,7s,9as,9bs,10r,11ar)-3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,10r,11ar)-3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(1'r,3s,4's,7'z,8'r,9's)-5'-{[(3z,3as,4s,5s,6as)-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-tetrahydrocyclopenta[b]furan-3-ylidene]methyl}-7'-ethylidene-1,6-dimethoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

(1'r,3s,4's,7'z,8'r,9's)-5'-{[(3z,3as,4s,5s,6as)-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-tetrahydrocyclopenta[b]furan-3-ylidene]methyl}-7'-ethylidene-1,6-dimethoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

C31H38N2O8 (566.2628028)

C34H38N4O2S (566.2715328)

(1r,3as,3br,5as,7r,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7r,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

3a,5a,10-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(4r,5s,6s,7r)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one

C35H38N2O5 (566.2780577999999)

(1s,3as,5ar,5br,7ar,8s,9s,11ar,11br,13as,13bs)-5a,5b,8,13b-tetramethyl-1-(prop-1-en-2-yl)-9-(sulfooxy)-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid

C30H46O8S (566.2913236)

4-[(1s,3s,5s,6s,8s,10s,14r,15s,17r,18s,19r,23r)-5,6,17,22-tetrahydroxy-8,14-bis(hydroxymethyl)-18-methyl-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

4-[(1s,3s,5s,6s,8s,10s,14r,15s,17r,18s,19r,23r)-5,6,17,22-tetrahydroxy-8,14-bis(hydroxymethyl)-18-methyl-4,9,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

C29H42O11 (566.2726982)

9-(furan-3-yl)-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadec-5-en-17-yl 2-methylbut-2-enoate

C32H38O9 (566.2515698)

(1r,3as,5ar,5br,7ar,8s,9s,11ar,11br,13ar,13br)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-9-(sulfooxy)-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid

C30H46O8S (566.2913236)

3,3a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(1r,3as,3br,5as,7r,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7r,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

4-[(1s,3r,5s,7s,9r,10s,12r,14r,15s,17r,18s,19r,22s,23r)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

4-[(1s,3r,5s,7s,9r,10s,12r,14r,15s,17r,18s,19r,22s,23r)-9,10,17,22-tetrahydroxy-7,14-bis(hydroxymethyl)-18-methyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one

C29H42O11 (566.2726982)

(1r,2r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icosa-3,9-dien-19-yl (2e)-2-methylbut-2-enoate

(1r,2r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icosa-3,9-dien-19-yl (2e)-2-methylbut-2-enoate

C33H42O8 (566.2879532000001)

3,6,7-tris(acetyloxy)-2-hydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate

C29H42O11 (566.2726982)

(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5as,7s,9as,9bs,11r,11as)-3a,5a,11-trihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)

(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17s,18r)-6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl 3-methylbutanoate

C29H42O11 (566.2726982)

5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-9-(sulfooxy)-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid

C30H46O8S (566.2913236)

7'-ethylidene-5'-{[4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-tetrahydrocyclopenta[b]furan-3-ylidene]methyl}-1,6-dimethoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

C31H38N2O8 (566.2628028)

(1r,11s,12r,13r,14e,19s,21s)-14-ethylidene-10-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-11-ol

(1r,11s,12r,13r,14e,19s,21s)-14-ethylidene-10-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-11-ol

C38H38N4O (566.3045458)

4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3',4',4'a,6',7',8'-hexahydro-2'h,3h-spiro[1-benzofuran-2,1'-naphthalene]-7-carbaldehyde

C29H42O11 (566.2726982)

6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl 3-methylbutanoate

C32H38O9 (566.2515698)

(1s,2s,5s,9r,11r,13ar)-4,9,11-tris(acetyloxy)-2,5,8,8,12-pentamethyl-1h,2h,3h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H42O8 (566.2879532000001)

(1r,3as,3br,5as,7s,9as,9bs,11ar)-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde

C29H42O11 (566.2726982)