Exact Mass: 594.3321

Exact Mass Matches: 594.3321

Found 435 metabolites which its exact mass value is equals to given mass value 594.3321, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Urobilin

3-(2-{[(2E)-3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid

C33H46N4O6 (594.3417)

Glucosyl-4,4-diaponeurosporenoate

alpha-D-glucopyranosyl 2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenoate

C36H50O7 (594.3556)

13-Deoxytedanolide

C32H50O10 (594.3404)

7,8-Dehydroastaxanthianthin

6-hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15Z)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

C40H50O4 (594.3709)

7,8-Dehydroastaxanthianthin is found in crustaceans. 7,8-Dehydroastaxanthianthin is found in lobster eggs. Found in lobster eggs

Stercobilin

3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

C33H46N4O6 (594.3417)

Stercobilin is the tetrapyrrole chemical compound that is primarily responsible for the brown color of feces. It was originally isolated from feces in 1932. Stercobilin is formed through the reduction of its parent compound stercblinogen. Urobilinogen is actually generated through the degradation of heme, the red pigment in haemoglobin and red blood cells (RBCs). RBCs have a life span of about 120 days. When the RBCs have reached the end of their useful lifespan, the cells are engulfed by macrophages and their constituents recycled or disposed of. Heme is broken down when the heme ring is opened by the enzyme known as heme oxygenase, which is found in the endoplasmic reticulum of the macrophages. The oxidation process produces the linear tetrapyrrole known as biliverdin along with ferric iron (Fe3+), and carbon monoxide (CO). In the next reaction, a second methylene group (located between rings III and IV of the porphyrin ring) is reduced by the enzyme known as biliverdin reductase, producing bilirubin. Bilirubin is significantly less extensively conjugated than biliverdin. This reduction causes a change in the color of the biliverdin molecule from blue-green (vert or verd for green) to yellow-red, which is the color of bilirubin (ruby or rubi for red). In plasma virtually all the bilirubin is tightly bound to plasma proteins, largely albumin, because it is only sparingly soluble in aqueous solutions at physiological pH. In the sinusoids unconjugated bilirubin dissociates from albumin, enters the liver cells across the cell membrane through non-ionic diffusion to the smooth endoplasmatic reticulum. In hepatocytes, bilirubin-UDP-glucuronyltransferase (bilirubin-UGT) adds 2 additional glucuronic acid molecules to bilirubin to produce the more water-soluble version of the molecule known as bilirubin diglucuronide. The bilirubin diglucuronide is transferred rapidly across the canalicular membrane into the bile canaliculi where it is then excreted as bile into the large intestine. The bilirubin is further degraded (reduced) by microbes present in the large intestine to form a colorless product known as urobilinogen. Urobilinogen that remains in the colon can either be reduced to stercobilinogen and finally oxidized to stercobilin, or it can be directly reduced to stercobilin. Stercobilin is responsible for the brown color of human feces. Stercobilin is then excreted in the feces. It is a microbial metabolite.

Cholyltryptophan

2-[(1-Hydroxy-4-{5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-14-yl}pentylidene)amino]-3-(1H-indol-3-yl)propanoate

C35H50N2O6 (594.3669)

Cholyltryptophan belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Cholyltryptophan consists of the bile acid cholic acid conjugated to the amino acid Tryptophan conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Cholyltryptophan, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Cholyltryptophan appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).

Tyr-ile-gly-ser-arg

2-{[2-({2-[(2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-methylpentylidene)amino]-1-hydroxyethylidene}amino)-1,3-dihydroxypropylidene]amino}-5-carbamimidamidopentanoate

C26H42N8O8 (594.3125)

PA(8:0/18:1(12Z)-2OH(9,10))

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

C29H55O10P (594.3533)

PA(8:0/18:1(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(8:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one octanoyl 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)/8:0)

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

C29H55O10P (594.3533)

PA(18:1(12Z)-2OH(9,10)/8:0) 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)/8:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of octanoyl 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).

Capsicoside A1

2-(hydroxymethyl)-6-{5,7,9,13-tetramethyl-5-oxaspiro[oxane-2,6-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15-oloxy}oxane-3,4,5-triol

C33H54O9 (594.3768)

Capsicoside a1 is a member of the class of compounds known as steroidal saponins. Steroidal saponins are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Capsicoside a1 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Capsicoside a1 can be found in a number of food items such as red bell pepper, yellow bell pepper, pepper (c. annuum), and orange bell pepper, which makes capsicoside a1 a potential biomarker for the consumption of these food products.

Aldecalmycin

C33H54O9 (594.3768)

Murrafoline

C41H42N2O2 (594.3246)

Integracide A

Desulfointegracide B

C32H50O8S (594.3226)

(3S,3S,4R)-4-keto-4-Hydroxyalloxanthin

(3S,3S,4R)-7,7,8,8-Tetradehydro-3,3,4-trihydroxy-beta,beta-caroten-4-one

C40H50O4 (594.3709)

4-Keto-4-hydroxyalloxanthin

(3S,3S,4S)-7,7,8,8-Tetradehydro-3,3,4-trihydroxy-beta,beta-caroten-4-one

C40H50O4 (594.3709)

Furostane base -2H + O-Hex

C33H54O9 (594.3768)

Annotation level-3

GA8

C29H50O7Si3 (594.2864)

4,6,8,12,14,16-hexahydroxy-3-ethyl-15-carboxyl-27,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one|strevertene B

C32H50O10 (594.3404)

sarmentogenin-3-O-6-O-acetyl-beta-D-allopyranoside

C31H46O11 (594.304)

Trienomycin F

C34H46N2O7 (594.3305)

12-O-Cinnamoyl-20-O-tigloyl sarcostin

C35H46O8 (594.3193)

3-O-angeloyl-17-[(2Z,4E,6Z)-deca-2,4,6-trienoyloxy]ingenol|[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-6-[(2Z)-2-methyl-1-oxobutoxy]-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-1-yl]methyl (2Z,4E,6Z)-deca-2,4,6-trienoate

3-O-angeloyl-17-[(2Z,4E,6Z)-deca-2,4,6-trienoyloxy]ingenol|[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-6-[(2Z)-2-methyl-1-oxobutoxy]-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-1-yl]methyl (2Z,4E,6Z)-deca-2,4,6-trienoate

C35H46O8 (594.3193)

C31H46O11

C31H46O11 (594.304)

16beta-[(beta-D-glucopyranosyl)oxy]-3beta,7beta-dihydroxycholest-5-en-23-one|16??-[(??-D-Glucopyranosyl)-oxy]-3??,7??-dihydroxycholest-5-en-23-one

C33H54O9 (594.3768)

(25R)-6alpha-hydroxy-5alpha-spirostan-3beta-yl beta-D-glucopyranoside|chlorogenin 3beta-O-beta-D-glucopyranoside

C33H54O9 (594.3768)

C35H46O8

C35H46O8 (594.3193)

2,22-deoxyecdysone 25-O-beta-D-glucopyranoside

C33H54O9 (594.3768)

3-O-benzoyl-13-octanoyloxyingenol

C35H46O8 (594.3193)

capsicoside A1

C33H54O9 (594.3768)

neojaponicone A

C34H42O9 (594.2829)

Orthenthose

C28H50O13 (594.3251)

(25R)-2alpha,3beta,17alpha-trihydroxy-spirost-5-en-1beta-yl O-beta-D-xylopyranoside|atropuroside C

C32H50O10 (594.3404)

Polyphyllin A

C33H54O9 (594.3768)

gagunin G

C32H50O10 (594.3404)

C33H54O9

C33H54O9 (594.3768)

22-Epirhodeasapogenin-3-O-??-D-glucopyranoside

C33H54O9 (594.3768)

C34H42O9

C34H42O9 (594.2829)

19-acetylglucocoroglaucigenin

C31H46O11 (594.304)

3-(2,4,6-Decatrienoyl)-Ingenol

C35H46O8 (594.3193)

12-O-acetyl-3-O-benzoylingol 8-tiglate

C34H42O9 (594.2829)

4,6,8,12,14,16-hexahydroxy-15-carboxyl-3,27-dimethyl-28-ethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one|strevertene C

C32H50O10 (594.3404)

-16alpha-acetoxy-heteroclitalactone H|heteroclitalactone J

C34H42O9 (594.2829)

11-O-Beta-D-Galactopyranoside-(3beta,5beta,11alpha,25R)-Spirostane-3,11-diol

C33H54O9 (594.3768)

2-{[2,4,6-trihydroxy-5-(3-methyl-2-butenyl)-3-butanoylphenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3,7-dimethyl-2,6-octadienyl)-6-acetyl-2,5-cyclohexadien-1-one|yungensin D

C35H46O8 (594.3193)

lineariifolianoid F

C34H42O9 (594.2829)

piscidinone A

C35H46O8 (594.3193)

sucrose 3,3,4-triisovalerate

C27H46O14 (594.2887)

sucrose 6,3,4-triisovalerate

C27H46O14 (594.2887)

3beta,11alpha,16beta-trihydroxycholest-5,25(26)-dien-24-yl beta-D-glucopyranoside

C33H54O9 (594.3768)

(25S)-spirostane-3beta,5beta-diol 5-beta-D-glucopyranoside|reinocarnoside B

C33H54O9 (594.3768)

C36H50O7

C36H50O7 (594.3556)

12-O-acetyl-8-O-benzoylingol 3-tiglate

C34H42O9 (594.2829)

oleandrigenin glucoside

C31H46O11 (594.304)

MCULE-2509448234

C35H46O8 (594.3193)

Half-stercobilin IXalpha

C33H46N4O6 (594.3417)

C32H50O10

C32H50O10 (594.3404)

2,3-Didehydro-3,3-dihydroxy-beta,beta-carotene-4,4-doone-(S)-form|2,3-Didehydro-3,3-dihydroxy-beta,beta-carotene-4,4-doone-(??)-form

C40H50O4 (594.3709)

Scortechinone H

C34H42O9 (594.2829)

gagunin N

C32H50O10 (594.3404)

Trikendiol

C38H46N2O4 (594.3457)

A gamma-lactam that is an unusual red pigment isolated from the marine sponge Trikentrion laeve. It has been shown to exhibit anti-HIV1 activity.

3-Oxo-3,4,4-trioxo-beta-carotin|semiastacin

C40H50O4 (594.3709)

(25R)-3beta-hydroxy-5alpha-spirostan-1beta-yl beta-D-glucopyranoside

C33H54O9 (594.3768)

Tyr Lys Glu Arg

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid

C26H42N8O8 (594.3125)

Tyr Lys Arg Glu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C26H42N8O8 (594.3125)

Tyr Thr Arg Arg

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

C25H42N10O7 (594.3238)

3-(2-methylbutanoyl)-3,4-di(3-methylbutanoyl)sucrose

C27H46O14 (594.2887)

Stercobilin

C33H46N4O6 (594.3417)

Tryptophan conjugated cholic acid

C35H50N2O6 (594.3669)

Ala Arg Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N8O6 (594.2914)

Ala Arg Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Ala Trp Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N8O6 (594.2914)

Ala Trp Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Ala Tyr Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Ala Tyr Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Glu Lys Arg Tyr

(4S)-4-amino-4-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}butanoic acid

C26H42N8O8 (594.3125)

Glu Lys Tyr Arg

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C26H42N8O8 (594.3125)

Glu Arg Lys Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}butanoic acid

C26H42N8O8 (594.3125)

Glu Arg Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C26H42N8O8 (594.3125)

Glu Tyr Lys Arg

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-5-carbamimidamidopentanoic acid

C26H42N8O8 (594.3125)

Glu Tyr Arg Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]hexanoic acid

C26H42N8O8 (594.3125)

Phe Arg Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Phe Arg Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C29H38N8O6 (594.2914)

Phe Ser Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Phe Ser Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Phe Trp Arg Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid

C29H38N8O6 (594.2914)

Phe Trp Ser Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

His Pro Arg Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C28H38N10O5 (594.3026)

His Pro Trp Arg

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C28H38N10O5 (594.3026)

His Arg Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C28H38N10O5 (594.3026)

His Arg Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C28H38N10O5 (594.3026)

His Trp Pro Arg

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid

C28H38N10O5 (594.3026)

His Trp Arg Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

C28H38N10O5 (594.3026)

Lys Glu Arg Tyr

(4S)-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid

C26H42N8O8 (594.3125)

Lys Glu Tyr Arg

(4S)-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-4-[(2S)-2,6-diaminohexanamido]butanoic acid

C26H42N8O8 (594.3125)

Lys Arg Glu Tyr

(4S)-4-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H42N8O8 (594.3125)

Lys Arg Tyr Glu

(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C26H42N8O8 (594.3125)

Lys Val Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H42N6O6 (594.3166)

Lys Val Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H42N6O6 (594.3166)

Lys Trp Val Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H42N6O6 (594.3166)

Lys Trp Tyr Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid

C31H42N6O6 (594.3166)

Lys Tyr Glu Arg

(4S)-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-4-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]butanoic acid

C26H42N8O8 (594.3125)

Lys Tyr Arg Glu

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]pentanedioic acid

C26H42N8O8 (594.3125)

Lys Tyr Val Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C31H42N6O6 (594.3166)

Lys Tyr Trp Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C31H42N6O6 (594.3166)

Pro His Arg Trp

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]pentanamido]-3-(1H-indol-3-yl)propanoic acid

C28H38N10O5 (594.3026)

Pro His Trp Arg

(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-indol-3-yl)propanamido]pentanoic acid

C28H38N10O5 (594.3026)

Pro Arg His Trp

(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H38N10O5 (594.3026)

Pro Arg Trp His

(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C28H38N10O5 (594.3026)

Pro Trp His Arg

(2S)-5-carbamimidamido-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]pentanoic acid

C28H38N10O5 (594.3026)

Pro Trp Arg His

(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]pentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C28H38N10O5 (594.3026)

Arg Ala Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N8O6 (594.2914)

Arg Ala Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Arg Glu Lys Tyr

(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-amino-5-carbamimidamidopentanamido]butanoic acid

C26H42N8O8 (594.3125)

Arg Glu Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C26H42N8O8 (594.3125)

Arg Phe Ser Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Arg Phe Trp Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanoic acid

C29H38N8O6 (594.2914)

Arg His Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C28H38N10O5 (594.3026)

Arg His Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C28H38N10O5 (594.3026)

Arg Lys Glu Tyr

(4S)-4-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C26H42N8O8 (594.3125)

Arg Lys Tyr Glu

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C26H42N8O8 (594.3125)

Arg Pro His Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H38N10O5 (594.3026)

Arg Pro Trp His

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C28H38N10O5 (594.3026)

Arg Arg Thr Tyr

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H42N10O7 (594.3238)

Arg Arg Tyr Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid

C25H42N10O7 (594.3238)

Arg Ser Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Arg Ser Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C29H38N8O6 (594.2914)

Arg Thr Arg Tyr

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H42N10O7 (594.3238)

Arg Thr Tyr Arg

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

C25H42N10O7 (594.3238)

Arg Trp Ala Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N8O6 (594.2914)

Arg Trp Phe Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid

C29H38N8O6 (594.2914)

Arg Trp His Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

C28H38N10O5 (594.3026)

Arg Trp Pro His

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

C28H38N10O5 (594.3026)

Arg Trp Ser Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid

C29H38N8O6 (594.2914)

Arg Trp Tyr Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C29H38N8O6 (594.2914)

Arg Tyr Ala Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Arg Tyr Glu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]hexanoic acid

C26H42N8O8 (594.3125)

Arg Tyr Lys Glu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]pentanedioic acid

C26H42N8O8 (594.3125)

Arg Tyr Arg Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoic acid

C25H42N10O7 (594.3238)

Arg Tyr Thr Arg

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

C25H42N10O7 (594.3238)

Arg Tyr Trp Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C29H38N8O6 (594.2914)

Ser Phe Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Ser Phe Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Ser Arg Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Ser Arg Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C29H38N8O6 (594.2914)

Ser Trp Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Ser Trp Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C29H38N8O6 (594.2914)

Thr Arg Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H42N10O7 (594.3238)

Thr Arg Tyr Arg

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

C25H42N10O7 (594.3238)

Thr Tyr Arg Arg

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

C25H42N10O7 (594.3238)

Val Lys Trp Tyr

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H42N6O6 (594.3166)

Val Lys Tyr Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-methylbutanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H42N6O6 (594.3166)

Val Trp Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H42N6O6 (594.3166)

Val Trp Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C31H42N6O6 (594.3166)

Val Tyr Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C31H42N6O6 (594.3166)

Val Tyr Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C31H42N6O6 (594.3166)

Trp Ala Arg Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N8O6 (594.2914)

Trp Ala Tyr Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Trp Phe Arg Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid

C29H38N8O6 (594.2914)

Trp Phe Ser Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Trp His Pro Arg

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid

C28H38N10O5 (594.3026)

Trp His Arg Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

C28H38N10O5 (594.3026)

Trp Lys Val Tyr

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H42N6O6 (594.3166)

Trp Lys Tyr Val

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid

C31H42N6O6 (594.3166)

Trp Pro His Arg

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid

C28H38N10O5 (594.3026)

Trp Pro Arg His

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoic acid

C28H38N10O5 (594.3026)

Trp Arg Ala Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N8O6 (594.2914)

Trp Arg Phe Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid

C29H38N8O6 (594.2914)

Trp Arg His Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

C28H38N10O5 (594.3026)

Trp Arg Pro His

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

C28H38N10O5 (594.3026)

Trp Arg Ser Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid

C29H38N8O6 (594.2914)

Trp Arg Tyr Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C29H38N8O6 (594.2914)

Trp Ser Phe Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Trp Ser Arg Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-phenylpropanoic acid

C29H38N8O6 (594.2914)

Trp Val Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C31H42N6O6 (594.3166)

Trp Val Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C31H42N6O6 (594.3166)

Trp Tyr Ala Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Trp Tyr Lys Val

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-methylbutanoic acid

C31H42N6O6 (594.3166)

Trp Tyr Arg Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]propanoic acid

C29H38N8O6 (594.2914)

Trp Tyr Val Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]hexanoic acid

C31H42N6O6 (594.3166)

Tyr Ala Arg Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Tyr Ala Trp Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Tyr Glu Lys Arg

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]hexanamido]-5-carbamimidamidopentanoic acid

C26H42N8O8 (594.3125)

Tyr Glu Arg Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]hexanoic acid

C26H42N8O8 (594.3125)

Tyr Lys Val Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C31H42N6O6 (594.3166)

Tyr Lys Trp Val

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C31H42N6O6 (594.3166)

Tyr Arg Ala Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N8O6 (594.2914)

Tyr Arg Glu Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]hexanoic acid

C26H42N8O8 (594.3125)

Tyr Arg Lys Glu

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]hexanamido]pentanedioic acid

C26H42N8O8 (594.3125)

Tyr Arg Arg Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoic acid

C25H42N10O7 (594.3238)

Tyr Arg Thr Arg

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

C25H42N10O7 (594.3238)

Tyr Arg Trp Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C29H38N8O6 (594.2914)

Tyr Val Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C31H42N6O6 (594.3166)

Tyr Val Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C31H42N6O6 (594.3166)

Tyr Trp Ala Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-5-carbamimidamidopentanoic acid

C29H38N8O6 (594.2914)

Tyr Trp Lys Val

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-methylbutanoic acid

C31H42N6O6 (594.3166)

Tyr Trp Arg Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]propanoic acid

C29H38N8O6 (594.2914)

Tyr Trp Val Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]hexanoic acid

C31H42N6O6 (594.3166)

7,8-Didehydroastaxanthin

C40H50O4 (594.3709)

D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

Asterinic acid

6-hydroxy-3-[(3Z,5E,7E,9E,11Z,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

C40H50O4 (594.3709)

OOB-PG

1-(9Z-octadecenoyl)-2-(4-oxobutryl)-sn-glycero-3-phospho-(1-sn-glycerol)

C28H51O11P (594.3169)

6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol

(25R)-5alpha-spirostan-3beta,6alpha-diol 6-O-beta-D-glucopyranoside

C33H54O9 (594.3768)

12-O-benzoylphorbol 13-octanoate

C35H46O8 (594.3193)

Semi-astacene

3,3-Dihydroxy-2,3-didehydro-beta,beta-carotene-4,4-dione

C40H50O4 (594.3709)

4-Hydroxy-4-ketoalloxanthin

(3S,3S,4R)-3,3,4-Trihydroxy-7,8,7,8-tetrahydro-beta,beta-caroten-4-one

C40H50O4 (594.3709)

Sodium tauroglycocholate

Ethanesulfonic acid, 2-[[[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, monosodium salt

C28H47N2NaO8S (594.2951)

Ethanesulfonic acid, 2-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=41945-48-6 (retrieved 2024-07-16) (CAS RN: 41945-48-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

tris(2,2,6,6-tetramethyl-3,5-heptanedionato)scandium(iii)

C33H57O6Sc (594.3714)

21H,23H-Porphine-2,18-dipropanoicacid, 7,12-diethyl-3,8,13,17-tetramethyl-, 2,18-dimethyl ester

C36H42N4O4 (594.3206)

H-Tyr-Ile-Gly-Ser-Arg-OH trifluoroacetate salt

C26H42N8O8 (594.3125)

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

1-[n[(Phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n

C32H42N4O7 (594.3053)

Furostane base-2H + O-Hex

C33H54O9 (594.3768)

Glycosyl-4,4-diaponeurosporenoate

C36H50O7 (594.3556)

Sucrose-2,3,4-triisovalerate

C27H46O14 (594.2887)

3-(2-Methylbutanoyl)-3,4-di(isovaleryl)sucrose

C27H46O14 (594.2887)

3-[(11R,12R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13,15(24),16,18,20(23)-decaen-22-yl]propanoic acid

3-[(11R,12R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13,15(24),16,18,20(23)-decaen-22-yl]propanoic acid

C35H38N4O5 (594.2842)

3-[(21S,22S)-26-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21-trimethyl-11-(2-methylpropyl)-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)-26-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,21-trimethyl-11-(2-methylpropyl)-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

C36H42N4O4 (594.3206)

3-[(21S,22S)-11,26-diethyl-12-formyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-17,19,21-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-12-formyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-17,19,21-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

C35H38N4O5 (594.2842)

3-[(21S,22S)-26-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,19,21-tetramethyl-11-propyl-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)-26-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,19,21-tetramethyl-11-propyl-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

C36H42N4O4 (594.3206)

Cholyltryptophan

C35H50N2O6 (594.3669)

2-[[3-Hexadecanoyloxy-2-(5-oxopentanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C29H57NO9P+ (594.3771)

PA(8:0/18:1(12Z)-2OH(9,10))

C29H55O10P (594.3533)

PA(18:1(12Z)-2OH(9,10)/8:0)

C29H55O10P (594.3533)

3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid

3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrolidin-2-yl)methyl]-4-methylpyrrol-3-yl]propanoic acid

C33H46N4O6 (594.3417)

Yungensin D

C35H46O8 (594.3193)

A natural product found in Elaphoglossum yungense.

1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine(1+)

C29H57NO9P+ (594.3771)

A 1,2-diacyl-sn-glycero-3-phosphocholine having palmitoyl and 5-oxovaleryl groups at the 1- and 2-positions respectively.

1-Hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine(1-)

C29H57NO9P- (594.3771)

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

S-hexadecanoyl-4-phosphopantetheine(2-)

C27H51N2O8PS-2 (594.3104)

N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

C29H46N4O7S (594.3087)

N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

C35H38N4O5 (594.2842)

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

C35H38N4O5 (594.2842)

1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

C30H41F3N4O5 (594.3029)

12-Ethyl-8-isobutylbacteriochlorophyllide d

C36H42N4O4 (594.3206)

3-[(3R,21S,22S)-16-Ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-22-yl]propanoic acid

3-[(3R,21S,22S)-16-Ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13,15,17,19-nonaen-22-yl]propanoic acid

C35H38N4O5 (594.2842)

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

C27H51N2O8PS (594.3104)

Mgdg O-20:5_4:0

C33H54O9 (594.3768)

Mgdg O-18:5_6:0

C33H54O9 (594.3768)

Mgdg O-22:5_2:0

C33H54O9 (594.3768)

PE-Cer 14:2;2O/16:4

C32H55N2O6P (594.3798)

PE-Cer 12:1;2O/18:5

C32H55N2O6P (594.3798)

PE-Cer 12:2;2O/18:4

C32H55N2O6P (594.3798)

PE-Cer 14:3;2O/16:3

C32H55N2O6P (594.3798)

[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C32H50O10 (594.3404)

[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C32H50O10 (594.3404)

[(E)-3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C32H55N2O6P (594.3798)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate

C29H55O10P (594.3533)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate

C29H55O10P (594.3533)

[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-hexadec-9-enoate

C29H55O10P (594.3533)

[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-heptadec-9-enoate

C29H55O10P (594.3533)

[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-henicos-11-enoate

C29H55O10P (594.3533)

[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-nonadec-9-enoate

C29H55O10P (594.3533)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate

C29H55O10P (594.3533)

[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-icos-11-enoate

C29H55O10P (594.3533)

[1-[(2-decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tridec-9-enoate

C29H55O10P (594.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-octadec-9-enoate

C29H55O10P (594.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (Z)-heptadec-9-enoate

C29H55O10P (594.3533)

[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-henicos-11-enoate

C29H55O10P (594.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-icos-11-enoate

C29H55O10P (594.3533)

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

C32H51O8P (594.3321)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (Z)-tetradec-9-enoate

C29H55O10P (594.3533)

[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-nonadec-9-enoate

C29H55O10P (594.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (Z)-pentadec-9-enoate

C29H55O10P (594.3533)

[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (Z)-hexadec-9-enoate

C29H55O10P (594.3533)

[1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate

C29H55O10P (594.3533)

[1-phosphonooxy-3-[(E)-tridec-8-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C32H51O8P (594.3321)

7,8-Dehydroastaxanthianthin

C40H50O4 (594.3709)

S-hexadecanoyl-4-phosphopantetheine(2-)

C27H51N2O8PS (594.3104)

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

MGDG O-23:6;O

C32H50O10 (594.3404)

MGDG O-24:5

C33H54O9 (594.3768)

DGMG 12:2

C27H46O14 (594.2887)

MGMG 24:5

C33H54O9 (594.3768)

SQMG 19:2

C28H50O11S (594.3074)

DGGA 22:5

C31H46O11 (594.304)

MGGA 23:5

C32H50O10 (594.3404)

PA O-18:0/8:2;O3

C29H55O10P (594.3533)

PA O-26:2;O3

C29H55O10P (594.3533)

PA 18:0/7:2;O3

C28H51O11P (594.3169)

PA 18:0/8:1;O2

C29H55O10P (594.3533)

PA 20:4/8:3;O

C31H47O9P (594.2958)

PA 22:0/4:1;O2

C29H55O10P (594.3533)

PA 22:5/6:2;O

C31H47O9P (594.2958)

PA 25:2;O3

C28H51O11P (594.3169)

PA 26:1;O2

C29H55O10P (594.3533)

PA 28:7;O

C31H47O9P (594.2958)

PG O-22:3;O2

C28H51O11P (594.3169)

PG O-23:2;O

C29H55O10P (594.3533)

PG P-18:0/5:1;O

C29H55O10P (594.3533)

PG P-18:1/4:1;O2

C28H51O11P (594.3169)

PG 14:1/8:1;O

C28H51O11P (594.3169)

PG 16:0/6:2;O

C28H51O11P (594.3169)

PG 18:1/4:1;O

C28H51O11P (594.3169)

PG 19:0/4:1

C29H55O10P (594.3533)

PG 23:1

C29H55O10P (594.3533)

LPEth 28:6

C33H55O7P (594.3685)

LPM 29:6

C33H55O7P (594.3685)

PEth 26:7;O

C31H47O9P (594.2958)

PEth 27:6

C32H51O8P (594.3321)

PM 27:7;O

C31H47O9P (594.2958)

PM 28:6

C32H51O8P (594.3321)

Didehydro-astaxanthin

C40H50O4 (594.3709)

Trp-alphaMCA

C35H50N2O6 (594.3669)

Trp-betaMCA

C35H50N2O6 (594.3669)

Trp-CA

C35H50N2O6 (594.3669)

Trp-HCA

C35H50N2O6 (594.3669)

ST 25:3;O5;GlcA

C31H46O11 (594.304)

ST 26:2;O4;GlcA

C32H50O10 (594.3404)

ST 27:1;O3;GlcA

C33H54O9 (594.3768)

ST 29:7;O2;GlcA

C35H46O8 (594.3193)

ST 25:4;O6;Hex

C31H46O11 (594.304)

ST 26:3;O5;Hex

C32H50O10 (594.3404)

ST 27:2;O4;Hex

C33H54O9 (594.3768)

ST 28:0;O8;S

C28H50O11S (594.3074)

(11s)-11-[(4-hydroxy-2-isopropyl-8,8-dimethyl-5-oxo-6,7-dihydrophenanthren-3-yl)oxy]-4-isopropyl-8,8-dimethyl-9h,10h,11h-naphtho[1,2-c]oxepine-1,3-dione

C38H42O6 (594.2981)

(2e)-4-[(1r,2r,7s,14s,15s,16s,18s)-11,15-dihydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal

(2e)-4-[(1r,2r,7s,14s,15s,16s,18s)-11,15-dihydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal

C34H42O9 (594.2829)

11-[(4-hydroxy-2-isopropyl-8,8-dimethyl-5-oxo-6,7-dihydrophenanthren-3-yl)oxy]-4-isopropyl-8,8-dimethyl-9h,10h,11h-naphtho[1,2-c]oxepine-1,3-dione

C38H42O6 (594.2981)

(1r,2s,3r,4r,4as,8ar)-2-{[2-(acetyloxy)-3-methylbutanoyl]oxy}-3-hydroxy-3,4,8,8a-tetramethyl-4-[(1e)-2-(5-oxo-2h-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl benzoate

C34H42O9 (594.2829)

4-keto-4'-hydroxyalloxanthin

C40H50O4 (594.3709)

2-{2,4-dihydroxy-4-methyl-3,6-bis[(2-methylbut-2-enoyl)oxy]-5-oxocyclohexyl}-5-hydroxy-6-methoxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate

C31H46O11 (594.304)

2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-oloxy}oxane-3,4,5-triol

C33H54O9 (594.3768)

2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-oloxy}oxane-3,4,5-triol

C33H54O9 (594.3768)

5,6-dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-11-{[(2-methylbut-2-enoyl)oxy]methyl}-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl deca-2,4,6-trienoate

C35H46O8 (594.3193)

(1s,4s,5s,6r,9s,10r,11r,12r,14r)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-11-({[(2e)-2-methylbut-2-enoyl]oxy}methyl)-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl (2e,4e,6e)-deca-2,4,6-trienoate

(1s,4s,5s,6r,9s,10r,11r,12r,14r)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-11-({[(2e)-2-methylbut-2-enoyl]oxy}methyl)-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl (2e,4e,6e)-deca-2,4,6-trienoate

C35H46O8 (594.3193)

(2r,3r,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxane-3,4,5-triol

(2r,3r,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13's,15'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]oxane-3,4,5-triol

C33H54O9 (594.3768)

12-o-cinnamoyl-20-o-tigloyl sarcostin

C35H46O8 (594.3193)

{"Ingredient_id": "HBIN000927","Ingredient_name": "12-o-cinnamoyl-20-o-tigloyl sarcostin","Alias": "NA","Ingredient_formula": "C35H46O8","Ingredient_Smile": "CC=C(C)C(=O)OC(C)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C=CC5=CC=CC=C5)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3722","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

22-epirhodeasapogenin-3-o-β-d-glucopyrano-side

C33H54O9 (594.3768)

{"Ingredient_id": "HBIN003728","Ingredient_name": "22-epirhodeasapogenin-3-o-\u03b2-d-glucopyrano-side","Alias": "NA","Ingredient_formula": "C33H54O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4(15)-eudesmene-1,6,11,14-tetrol; (1α,5β,6β,10α)-form,6-o-[beta-d-glucopyranosyl-(1→6)-beta-d-glucopyranoside]

C27H46O14 (594.2887)

{"Ingredient_id": "HBIN009832","Ingredient_name": "4(15)-eudesmene-1,6,11,14-tetrol; (1\u03b1,5\u03b2,6\u03b2,10\u03b1)-form,6-o-[beta-d-glucopyranosyl-(1\u21926)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C27H46O14","Ingredient_Smile": "NA","Ingredient_weight": "594.65","OB_score": "NA","CAS_id": "256528-97-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7976","PubChem_id": "NA","DrugBank_id": "NA"}

(1r,16r,19r)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1s)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

(1r,16r,19r)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1s)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C41H42N2O2 (594.3246)

[(1r,5ar,7r,8r,9as,10r,11r,11ar)-11-(acetyloxy)-8,10-dihydroxy-6,6,9a,11a-tetramethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1r,5ar,7r,8r,9as,10r,11r,11ar)-11-(acetyloxy)-8,10-dihydroxy-6,6,9a,11a-tetramethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C32H50O8S (594.3226)

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

C33H54O9 (594.3768)

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C33H54O9 (594.3768)

5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-12-(octanoyloxy)-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl benzoate

C35H46O8 (594.3193)

[(1r,5ar,7r,8r,9as,10r,11r,11ar)-11-(acetyloxy)-8,10-dihydroxy-6,6,9a,11a-tetramethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1r,5ar,7r,8r,9as,10r,11r,11ar)-11-(acetyloxy)-8,10-dihydroxy-6,6,9a,11a-tetramethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C32H50O8S (594.3226)

(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14r)-4-(acetyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate

C34H42O9 (594.2829)

3,5-dihydroxy-1-[12-hydroxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-isopropyl-8,8-dimethyl-1,5,6,7-tetrahydrophenanthren-4-one

3,5-dihydroxy-1-[12-hydroxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-isopropyl-8,8-dimethyl-1,5,6,7-tetrahydrophenanthren-4-one

C39H46O5 (594.3345)

[11-(acetyloxy)-8,10-dihydroxy-6,6,9a,11a-tetramethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C32H50O8S (594.3226)

3-[(1r,2s,4ar,6s,8r,8as)-2-[(2s,3r,4s,5e)-4-hydroxy-3,5-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-oxopropanal

3-[(1r,2s,4ar,6s,8r,8as)-2-[(2s,3r,4s,5e)-4-hydroxy-3,5-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-oxopropanal

C33H54O9 (594.3768)

(4e,6e,8e,10e,12e)-27-ethyl-14,16,18,22,24,26-hexahydroxy-2,3-dimethyl-28-oxo-1-oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid

C32H50O10 (594.3404)

6-hydroxy-3-[(9e,11e,13e,15e)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

C40H50O4 (594.3709)

2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C33H54O9 (594.3768)

(2e)-2-methyl-n-[(2r)-1-oxo-1-{[(6z,8z,10z,16z)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(23),2,6,8,10,16,20(24),21-octaen-13-yl]oxy}propan-2-yl]but-2-enimidic acid

C34H46N2O7 (594.3305)

13,16-dimethyl-19-(prop-1-en-2-yl)-6-{3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl}-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C41H42N2O2 (594.3246)

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,16's,18's,19's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-oloxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,16's,18's,19's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-oloxy]oxane-3,4,5-triol

C33H54O9 (594.3768)

(9r,13s,15r,16r,17r,18s)-18-(acetyloxy)-16-[(1r)-1-hydroxy-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4,10-tetraen-15-yl acetate

(9r,13s,15r,16r,17r,18s)-18-(acetyloxy)-16-[(1r)-1-hydroxy-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4,10-tetraen-15-yl acetate

C34H42O9 (594.2829)

(1's,2r,4s,5s,6r,10'z,12'z,14's,15's,16'z,19'r)-6-cyclohexyl-4,7',15'-trihydroxy-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaen-3'-one

(1's,2r,4s,5s,6r,10'z,12'z,14's,15's,16'z,19'r)-6-cyclohexyl-4,7',15'-trihydroxy-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaen-3'-one

C36H50O7 (594.3556)

(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14s)-4-(acetyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl benzoate

C34H42O9 (594.2829)

(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

(1r,2s,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C31H46O11 (594.304)

(2r,3r,4s,5s,6r)-2-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-6-[(3r)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6-hydroxy-6-[(3r)-4-hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C33H54O9 (594.3768)

3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C31H46O11 (594.304)

3,8-dihydroxy-17-{hydroxy[2-methyl-3-(pent-3-en-2-yl)oxiran-2-yl]methyl}-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone

C32H50O10 (594.3404)

(1'r,2r,2's,4's,5r,7's,8's,9's,12's,13'r,14's,15's,16'r)-5,7',9',13'-tetramethyl-14'-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-8',15',16'-triol

(1'r,2r,2's,4's,5r,7's,8's,9's,12's,13'r,14's,15's,16'r)-5,7',9',13'-tetramethyl-14'-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-8',15',16'-triol

C32H50O10 (594.3404)

5,7',9',13'-tetramethyl-14'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-8',15',16'-triol

C32H50O10 (594.3404)

(2r,3r,4s,5s,6r)-2-{[(1s,2r,4as,5s,8ar)-5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methylidene-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(1s,2r,4as,5s,8ar)-5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methylidene-octahydronaphthalen-1-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C27H46O14 (594.2887)

(1s,4s,5s,6r,9s,10r,12s,14r)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-12-(octanoyloxy)-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-4-yl benzoate

C35H46O8 (594.3193)

[(1s,3r,7s,8r,11s,12s,15r,16r)-7-[(acetyloxy)methyl]-12,16-dimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-7-yl]methoxysulfonic acid

C32H50O8S (594.3226)

(2r,3s,4z,6z,8z,10z,12z,14r,15r,16r,18r,22s,24s,26s,27r)-2-ethyl-14,16,18,22,24,26-hexahydroxy-3,27-dimethyl-28-oxo-1-oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid

C32H50O10 (594.3404)

(2s,3s,3ar,4r,6s,7s,8s,12s,13ar)-3,8,13a-trihydroxy-2,9,9,12-tetramethyl-5-methylidene-4,7-bis[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-6-yl 2-methylpropanoate

(2s,3s,3ar,4r,6s,7s,8s,12s,13ar)-3,8,13a-trihydroxy-2,9,9,12-tetramethyl-5-methylidene-4,7-bis[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-6-yl 2-methylpropanoate

C32H50O10 (594.3404)

6-[(1r,13s,14r,18r)-13-hydroxy-16-oxo-19-{9h-pyrido[3,4-b]indol-1-yl}-4,15-diazatetracyclo[11.5.2.1⁴,¹⁸.0¹⁴,¹⁸]henicosa-9,19-dien-15-yl]hex-2-enoic acid

C36H42N4O4 (594.3206)

(2r,3s,4z,6z,8z,10z,12z,14r,15r,16r,18r,22s,24s,26s,27r)-27-ethyl-14,16,18,22,24,26-hexahydroxy-2,3-dimethyl-28-oxo-1-oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid

C32H50O10 (594.3404)

(16r,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1s)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

(16r,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1s)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C41H42N2O2 (594.3246)

3-[(1s,2r,4ar,6s,8s,8ar)-2-[(2s,3s,4r,5e)-4-hydroxy-3,5-dimethyl-2-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-oxopropanal

3-[(1s,2r,4ar,6s,8s,8ar)-2-[(2s,3s,4r,5e)-4-hydroxy-3,5-dimethyl-2-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-oxopropanal

C33H54O9 (594.3768)

(6s)-6-hydroxy-3-[(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

(6s)-6-hydroxy-3-[(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

C40H50O4 (594.3709)

(1s,16s,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1r)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

(1s,16s,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1r)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C41H42N2O2 (594.3246)

[(1s,3r,7s,8r,11r,12s,15r,16r)-7-[(acetyloxy)methyl]-12,16-dimethyl-15-[(2r)-6-methyl-4-oxoheptan-2-yl]-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-7-yl]methoxysulfonic acid

C32H50O8S (594.3226)

3,8,13a-trihydroxy-2,9,9,12-tetramethyl-5-methylidene-4,7-bis[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-6-yl 2-methylpropanoate

C32H50O10 (594.3404)

(2s,3s,4s,6s)-6-{[(2s,3s,4s,6s)-6-{[(2s,3s,4s,6s)-6-{[(2s,3s,4s,6r)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-ol

(2s,3s,4s,6s)-6-{[(2s,3s,4s,6s)-6-{[(2s,3s,4s,6s)-6-{[(2s,3s,4s,6r)-6-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-ol

C28H50O13 (594.3251)

(4r)-2-acetyl-6-{[3-butanoyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C35H46O8 (594.3193)

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,16's,18's,19's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-oloxy]oxane-3,4,5-triol

C33H54O9 (594.3768)

2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy}oxane-3,4,5-triol

C33H54O9 (594.3768)

n-(5-carbamimidamido-1-oxopentan-2-yl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboximidic acid

C31H42N6O6 (594.3166)

nor-q.d.; ethinyl estradiol

C40H50O4 (594.3709)

(1r,16r,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1s)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

(1r,16r,19s)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1s)-3,3,5-trimethyl-1h,2h,11h-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

C41H42N2O2 (594.3246)

{7-[(acetyloxy)methyl]-12,16-dimethyl-15-(6-methyl-4-oxoheptan-2-yl)-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-7-yl}methoxysulfonic acid

C32H50O8S (594.3226)

2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-14'-oloxy}oxane-3,4,5-triol

C33H54O9 (594.3768)

(3r,5r)-2-[(1s,2s,3s,4r,6r)-2,4-dihydroxy-4-methyl-3,6-bis({[(2z)-2-methylbut-2-enoyl]oxy})-5-oxocyclohexyl]-5-hydroxy-6-methoxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate

C31H46O11 (594.304)

2-{[6-hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C33H54O9 (594.3768)

6-cyclohexyl-4,7',15'-trihydroxy-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0⁴,⁹]tricosane]-4',6',8',10',12',16'-hexaen-3'-one

C36H50O7 (594.3556)

3-[(1r,2s,6s,8r)-2-[(2s,3r,4s,5e)-4-hydroxy-3,5-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-oxopropanal

3-[(1r,2s,6s,8r)-2-[(2s,3r,4s,5e)-4-hydroxy-3,5-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-oxopropanal

C33H54O9 (594.3768)

2-acetyl-6-{[3-butanoyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(3,7-dimethylocta-2,6-dien-1-yl)-3,5-dihydroxy-4-methylcyclohexa-2,5-dien-1-one

C35H46O8 (594.3193)

6-{[6-({6-[(6-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-ol

C28H50O13 (594.3251)

(2r,3s,4e,6e,8e,10e,12e,14r,15r,16r,18r,22s,24s,26s,27r)-27-ethyl-14,16,18,22,24,26-hexahydroxy-2,3-dimethyl-28-oxo-1-oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid

C32H50O10 (594.3404)

(1s,2r,4s,5r,6r)-4,5-bis(acetyloxy)-9-isopropyl-2-methyl-7-phenoxy-6-(phenoxymethyl)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl acetate

C34H42O9 (594.2829)

(2s,4s)-n-(5-carbamimidamido-1-oxopentan-2-yl)-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-phenylbutanoyl]-4-methylpyrrolidine-2-carboximidic acid

C31H42N6O6 (594.3166)

(2z)-6-[(1r,9z,13s,14r,18r)-13-hydroxy-16-oxo-19-{9h-pyrido[3,4-b]indol-1-yl}-4,15-diazatetracyclo[11.5.2.1⁴,¹⁸.0¹⁴,¹⁸]henicosa-9,19-dien-15-yl]hex-2-enoic acid

C36H42N4O4 (594.3206)

2-{[5-hydroxy-4a-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-8-methylidene-octahydronaphthalen-1-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C27H46O14 (594.2887)

3-[2-(4-hydroxy-3,5-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-5-en-1-yl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-oxopropanal

C33H54O9 (594.3768)

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,14'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-oloxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,14'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-oloxy]oxane-3,4,5-triol

C33H54O9 (594.3768)

(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

C31H46O11 (594.304)

(6r)-6-hydroxy-3-[(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

(6r)-6-hydroxy-3-[(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4r)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

C40H50O4 (594.3709)

18-(acetyloxy)-16-[1-hydroxy-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.0³,⁹.0¹³,¹⁷]nonadeca-1(12),2,4,10-tetraen-15-yl acetate

C34H42O9 (594.2829)

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13's,14'r,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-14'-oloxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13's,14'r,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-14'-oloxy]oxane-3,4,5-triol

C33H54O9 (594.3768)

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1r,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1r,2s,4s,6r,7s,8r,9s,12s,13r,16s)-6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C33H54O9 (594.3768)

(1s,5s)-3,5-dihydroxy-1-[(3s,4r)-12-hydroxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-isopropyl-8,8-dimethyl-1,5,6,7-tetrahydrophenanthren-4-one

(1s,5s)-3,5-dihydroxy-1-[(3s,4r)-12-hydroxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-yl]-2-isopropyl-8,8-dimethyl-1,5,6,7-tetrahydrophenanthren-4-one

C39H46O5 (594.3345)

4-[11,15-dihydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal

4-[11,15-dihydroxy-16-methoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-en-1-yl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal

C34H42O9 (594.2829)

(1r,2s,6r,10s,11r,13s,14r)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12-trimethyl-13-(nonanoyloxy)-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl benzoate

C35H46O8 (594.3193)

(1r,3r,4s,5r,7s,8s,9r,10e,12s,13s,14s)-4-(acetyloxy)-9-hydroxy-3,6,6,10,14-pentamethyl-13-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate

C34H42O9 (594.2829)

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

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

C33H54O9 (594.3768)

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

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

C33H54O9 (594.3768)