Exact Mass: 506.373606

Theasapogenol A

4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol

Theasapogenol A is found in tea. Sapogenol isolated from seeds of china tea and other plants. May or may not be present in the leaves. Theasapogenol A is found together with various acylated derivation and their glucosides for which refs. are give Sapogenol isolated from seeds of china tea and other plants. May or may not be present in the leaves. Found together with various acylated derivs. and their glucosides for which refs. are given. Theasapogenol A is found in tea.

Panaxynol linoleate

(9E)-Heptadeca-1,9-dien-4,6-diyn-3-yl (9E,12Z)-octadeca-9,12-dienoic acid

Panaxynol linoleate is found in tea. Panaxynol linoleate is isolated from ginseng. Isolated from ginseng. Panaxynol linoleate is found in tea.

Chenodeoxycholylasparagine

3-carbamoyl-2-(4-{5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}pentanamido)propanoic acid

Chenodeoxycholylasparagine 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. Chenodeoxycholylasparagine consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Asparagine 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 Chenodeoxycholylasparagine, 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). Chenodeoxycholylasparagine 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).

Deoxycholylasparagine

2-[(4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-14-yl}-1-hydroxypentylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoate

Deoxycholylasparagine 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. Deoxycholylasparagine consists of the bile acid deoxycholic acid conjugated to the amino acid Asparagine 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 Deoxycholylasparagine, 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). Deoxycholylasparagine 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).

Anadur

(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-(4-hexoxyphenyl)propanoate

R1-Barrigenol

4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,6,10-pentol

R1-barrigenol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. R1-barrigenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). R1-barrigenol can be found in tea, which makes r1-barrigenol a potential biomarker for the consumption of this food product.

Gymnemagenin

(3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol

Gymnemagenin is a natural product found in Gymnema sylvestre with data available. See also: Gymnema sylvestre leaf (part of). Gymnemagenin is a triterpenoid isolated from G. sylvestre. Gymnemagenin is an agent for diabetes and obesity and also possesses antiviral properties[1][2]. Gymnemagenin is a triterpenoid isolated from G. sylvestre. Gymnemagenin is an agent for diabetes and obesity and also possesses antiviral properties[1][2].

Quadrangularic acid L

(+)-Quadrangularic acid L

Methylisofoveolate B

(+)-Methylisofoveolate B

Cordianol A

13beta,17beta-Epoxyalisol A

Melyne C

C34H50O3 (506.37597500000004)

Sugikurojin G

Sodwanone L

Sublateriol B

Lycernuic acid D

20,22-O-[(1RS)-ethylidene]-20-hydroxyecdysone

methyl 3-O,7-O-diacetyl-beta-muricholate

2-(e-Methylbutanoyl),3,17-di-Ac-2,3,16,17-Phyllocladanetetrol

Foveolin B

2alpha,3beta,20,23-tetrahydroxyurs-28-oic acid

levantilide B

(+)-N-benzoylbuxahyrcanine|(20S)-3beta-benzoylamino-20-dimethylaminobux-9(11)-en-10alpha-ol|N-benzoylbuxahyrcanine

C33H50N2O2 (506.387208)

(20R,22R)-6-oxo-2beta,3beta,14alpha,25-tetrahydroxy-5beta-cholest-7-en-22-yl acetate|ecdysone 22-acetate

ferrugieudesmol

muzitone

neviotine-A

Ajugasterone B

(24R)-6alpha,11alpha,16beta,24,25-pentahydroxycycloartan-3-one

Tanginol|Tanginol (3beta,6beta,7beta,16beta,23,28-Hexahydroxy-Delta12-oleanen)

amphimedoside A|N-methoxy-N-(16-pyridin-3-ylhexadec-11-yn-1-yl)-beta-D-glucopyranosylamine

R1-Barrigenol

3-(1,2-ethanediol)-24-methylcholesta-8(9),22E-diene-3beta,5alpha,6alpha,7alpha,11alpha-pentaol

(2alpha,3alpha,12alpha,17R)-12-methoxy-19(18->17)-abeo-28-norolean-13(18)-ene-2,3,23,24,29-pentol

C29H46O7

pachyclavulariolide F

Lobosterol

9,19-Cycloergostan-3-one, 22,24,25,28-tetrahydroxy-4-(hydroxymethyl)-14-methyl-, (5.alpha.)-

C30H50O6

(2S,1R,2R,4S)-fenchyl-3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-carboxylate

(2R,1S,2R,4S)-bornyl-3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-carboxylate

2alpha,3beta,12beta,13beta-tetrahydroxy-urs-28-oic acid|psiguanin C

(3R)-malonyl-(13S)-hydroxy-cheilanth-17-en-19-oate

2-deoxyecdysterone-25-acetate

Erynginol A

Marsileagenin A

methyl 3-O,6-O-diacetyl-beta-muricholate

2alpha,7alpha-diacetoxy-6beta-isovaleroxylabda-8,13-dien-15-ol

N-Benzoyl-cycloprotobuxolin-D

C33H50N2O2 (506.387208)

sodwanone F

3,4-seco-olean-12-en-4,15alpha,22alpha,24-tetraol-3-oic acid

7beta-Hydroxy-A(1)-barrigenol

C33H46O4

ecdysone-3-acetate

(+)-20S-3-(benzoylamino)-20-(dimethylamino)-5alpha-pregn-2-en-4beta-yl acetate

C32H46N2O3 (506.3508246)

2-deoxyecdysterone 3-acetate

(20R,22R)-20,22-(R-ethane-1,1-diyldioxy)-2beta,3beta,11alpha,14alpha-tetrahydroxy-5beta-cholest-7-en-6-one|20,22-O-(R-ethylidene)-ajugasterone C

C31H54O5

(2beta,3beta,16alpha,20R)-2,3,16,20,25-Pentahydroxy-5-cucurbiten-22-one|2,3,16,20,25-pentahydroxy-9-methyl-19-norlanost-5-en-22-one

11-Ac-Ergost-24(28)-ene,1,3,5,6,11-pentol

(2alpha,3beta,12beta,13beta)-2,3,12,13-tetrahydroxyoleanan-28-oic acid|serrulatin E

Protoescigenin

(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol

Protoescigenin is a natural product found in Aesculus indica with data available. Protoescigenin is the main aglycone of horse chestnut saponin mixture known as escin. Protoescigenin is selected as substrate for exploratory chemistry towards selective protection, followed by propargyl ether formation and subsequent condensation with azido-monosaccharides, to obtain novel triazole linked conjugates of the triterpene[1].

19-hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid

NCGC00384950-01!19-hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid

C30H50O6_13,17,24,25-Tetrahydroxy-16,23-epoxydammaran-3-one

NCGC00380960-01_C30H50O6_13,17,24,25-Tetrahydroxy-16,23-epoxydammaran-3-one

Valactamide A putative

C30H54N2O4 (506.4083364)

Asparagine conjugated chenodeoxycholic acid

((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine

"((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine"

(20R)-24-Hydroxy-19-norgeminivitamin D3

(7E)-(1S,3R,20R)-20-(3R,4-dihydroxy-4-methy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol

(20S)-24-Hydroxy-19-norgeminivitamin D3

(7E)-(1S,3R,20S)-20-(3R,4-dihydroxy-4-methy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol

Theasapogenol A

4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol

Panaxynol linoleate

(9E)-heptadeca-1,9-dien-4,6-diyn-3-yl (9E,12Z)-octadeca-9,12-dienoate

1-tetracosyl-glycerone 3-phosphate

1- lignoceryl glycerone-3-phosphate

C27H55O6P (506.373606)

ST 29:3;O7

2beta,14alpha,22R,25-tetrahydroxy-6-oxo-5beta-cholest-7-en-3beta-yl acetate

Penicisteroid G

16beta-acetoxy-3beta,,5alpha,6beta,7beta-tetrahydroxyergost-5,22E-diene

Penicisteroid A

16beta-acetoxy-3beta,,6beta,7beta,11beta-tetrahydroxy-5alpha-ergost-22E-diene

Michosterol C

20S-hydroperoxy-6alpha-acetoxy-23R-methyl-ergosta-3beta,5beta,25-triol

Combretanone B

7beta,23,24,25,28-pentahydroxy-9beta,19-cyclolanostan-3-one

A pentacyclic triterpenoid that is 9beta,19-cyclolanostane substituted by an oxo group at position 3 and hydroxy groups at positions 7, 23R*, 24S*, 25 and 28. It has been isolated from the leaves of Combretum quadrangulare.

Tributyl(hexadecyl)phosphonium bromide

C28H60BrP (506.361575)

stearic acid, monoester with triglycerol

C27H54O8 (506.38184839999997)

Triglycerol monostearate

C27H54O8 (506.38184839999997)

hexaethylene glycol monohexadecyl ether

C28H58O7 (506.4182318)

[2-(hexanoyloxymethyl)-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-3-propoxypropyl] heptanoate

Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)-

triglycerol stearate

C27H54O8 (506.38184839999997)

19-Nortestosterone 4-hexyloxyphenylpropionate

Hexaepoxysqualene

[(E)-2-acetamido-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(2S,3R,4S,6R)-2-[[(3E,5S,6S,7S,9R,11E,13E,15S,16R)-16-ethyl-5,7,9,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-3,11,13-trien-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium

C29H48NO6+ (506.3481448)

Deoxycholylasparagine

C26H53NO6P+ (506.36103080000004)

2-[hydroxy-[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium

[3-carboxy-2-[(4E,7E,10E,13E,16E)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoyl]oxypropyl]-trimethylazanium

C29H48NO6+ (506.3481448)

2-[[3-[(9E,12E)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

methyl foveolate A

C30H51O4P (506.35247760000004)

A natural product found in Aglaia foveolata.

Presqualene monophosphate

1alpha,25-Dihydroxy-2beta-(1,3-dihydroxypropoxy)-cholecalciferol

1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

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

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

1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

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

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

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

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

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

1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

2-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H51O4P (506.35247760000004)

[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] dihydrogen phosphate

Mgdg O-8:0_9:0

Mgdg O-9:0_8:0

Mgdg O-13:0_4:0

Mgdg O-15:0_2:0

Mgdg O-11:0_6:0

Mgdg O-14:0_3:0

Mgdg O-10:0_7:0

Mgdg O-12:0_5:0

[(E)-3-hydroxy-2-(octanoylamino)dodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(propanoylamino)heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(pentanoylamino)pentadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(nonanoylamino)undec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-(butanoylamino)-3-hydroxyhexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-(heptanoylamino)-3-hydroxytridec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-3-hydroxy-2-(undecanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-(hexanoylamino)-3-hydroxytetradec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

[(E)-2-(decanoylamino)-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C31H56NO4+ (506.42091160000007)

[3-carboxy-2-[(15Z,18Z,21E)-tetracosa-15,18,21-trienoyl]oxypropyl]-trimethylazanium

[(E)-2-(dodecanoylamino)-3-hydroxyoct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

(1-decanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

(1-dodecanoyloxy-3-hydroxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

19-Hydroxy-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosanoic acid

((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl)glycylglycine

(1-hydroxy-3-octanoyloxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate

(1-hexanoyloxy-3-hydroxypropan-2-yl) (10Z,13Z,16Z)-docosa-10,13,16-trienoate

C26H53NO6P+ (506.36103080000004)

2-[hydroxy-[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-3-[(9E,12E)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

[2-[(E)-dodec-5-enoyl]oxy-3-hydroxypropyl] (4E,7E)-hexadeca-4,7-dienoate

[1-carboxy-3-[2-hydroxy-3-[(4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoyl]oxypropoxy]propyl]-trimethylazanium

C29H48NO6+ (506.3481448)

[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate

(2-dodecanoyloxy-3-hydroxypropyl) (9E,11E,13E)-hexadeca-9,11,13-trienoate

[(2S)-2-decanoyloxy-3-hydroxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate

2-[[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Protoaescigenin

2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate

DG(28:3)

DG(16:0_12:3)

TG(27:3)

TG(8:0_8:0_11:3)

WE(35:8)

WE(18:4_17:4)

TG(28:3)

TG(12:0(1)_6:0_10:3)

LSM(21:1)

LSM(d21:1)

C26H55N2O5P (506.384839)

NA-Orn 24:3

FAHFA 10:2/O-23:7

FAHFA 10:3/O-23:6

FAHFA 11:2/O-22:7

FAHFA 11:3/O-22:6

FAHFA 12:2/O-21:7

FAHFA 12:3/O-21:6

FAHFA 12:4/O-21:5

FAHFA 13:3/O-20:6

FAHFA 13:4/O-20:5

FAHFA 14:3/O-19:6

FAHFA 14:4/O-19:5

FAHFA 15:3/O-18:6

FAHFA 15:4/O-18:5

FAHFA 15:5/O-18:4

FAHFA 16:4/O-17:5

FAHFA 16:5/O-17:4

FAHFA 17:4/O-16:5

FAHFA 17:5/O-16:4

FAHFA 18:4/O-15:5

FAHFA 18:5/O-15:4

FAHFA 18:6/O-15:3

FAHFA 19:5/O-14:4

FAHFA 19:6/O-14:3

FAHFA 20:5/O-13:4

FAHFA 20:6/O-13:3

FAHFA 21:5/O-12:4

FAHFA 21:6/O-12:3

FAHFA 21:7/O-12:2

FAHFA 22:6/O-11:3

FAHFA 22:7/O-11:2

FAHFA 23:6/O-10:3

FAHFA 23:7/O-10:2

FAHFA 24:6/O-9:3

FAHFA 24:7/O-9:2

FAHFA 25:7/O-8:2

FAHFA 33:9;O

FAHFA 8:2/O-25:7

FAHFA 9:2/O-24:7

FAHFA 9:3/O-24:6

DG 10:0_18:3

DG 28:3

MGMG 17:0

LPEth 21:1

C26H51O7P (506.3372226)

LPM 22:1

C26H51O7P (506.3372226)

SM 20:1;O2

Asn-CDCA

Asn-DCA

Asn-HDCA

Asn-UDCA

Orn-CDCA

Orn-DCA

Orn-HDCA

Orn-UDCA

ST 23:1;O;GlcA

ST 23:2;O2;Hex

ST 24:1;O;Hex

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-1-[(2s,4r,5r)-5-(3-hydroxy-3-methylbutyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-1-[(2s,4r,5r)-5-(3-hydroxy-3-methylbutyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

3-(3,4-dihydroxyphenyl)propyl (3s)-3-hydroxydocosanoate

2-methoxyphenyl 3-[4a,6-dimethyl-5-(3-methylpentyl)-octahydro-1h-naphthalen-1-yl]-2-methoxybenzoate

(1r,3as,5ar,7r,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,4h,5h,5ah,7h,9h,10h,11h-cyclopenta[a]phenanthren-8-one

(1r,3as,5ar,7r,8r,9as,11s,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-7,8,11-triol

8,10,12-trihydroxy-11,13,15,17,19-pentamethyl-20-(4-oxohexyl)-1-oxacycloicosa-3,5,15-trien-2-one

(1s,2r,5ar,7as,10bs)-8-[(1s,3as,5s)-1,5-dihydroxy-1-isopropyl-3a-methyl-hexahydroinden-5-yl]-1,2-dihydroxy-4,4,7a,10b-tetramethyl-octahydro-1h-indeno[5,4-b]oxepin-3-one

(1s,3s,5ar,7as,10bs)-8-[(1s,3as,5s)-1,5-dihydroxy-1-isopropyl-3a-methyl-hexahydroinden-5-yl]-1,3-dihydroxy-4,4,7a,10b-tetramethyl-octahydro-1h-indeno[5,4-b]oxepin-2-one

(1r,2s,4ar,6ar,6br,8ar,9r,10r,11r,12ar,12br,14ar,14br)-2,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-hexadecahydropicene-4a-carboxylic acid

n-[(1s,3as,3bs,5as,6r,9ar,9bs,11as)-6-(acetyloxy)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]benzenecarboximidic acid

C32H46N2O3 (506.3508246)

(4bs,8as,10s)-10-{[(4ar,5r,8s,8as)-5-hydroxy-8-isopropyl-5-methyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalen-2-yl]methyl}-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol

(3r,4r,4as,5s,6r,6as,6br,8ar,10s,12ar,12br,14bs)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,6,10-pentol

8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-2,3,8,9,10-pentol

3-{9-hydroxy-3-[3-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl}propanoic acid

3a,7,8-trihydroxy-9a,11a-dimethyl-1-[2,3,6-trihydroxy-5-(prop-1-en-2-yl)heptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,2r,4s,5r,8r,9r,10s,13r,14r,17s,18r,22s,23r)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-2,10,22,23-tetrol

(3s,6r)-6-[(1r,3as,3bs,5ar,6s,7s,9ar,9bs,11ar)-5a,6,7-trihydroxy-9a,11a-dimethyl-5-oxo-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethylheptan-2-yl acetate

13β,17β-epoxyalisol a

{"Ingredient_id": "HBIN001136","Ingredient_name": "13\u03b2,17\u03b2-epoxyalisol a","Alias": "NA","Ingredient_formula": "C30H50O6","Ingredient_Smile": "CC(CC(C(C(C)(C)O)O)O)C12CCC3(C1(O2)CC(C4C3(CCC5C4(CCC(=O)C5(C)C)C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15275","TCMID_id": "7049","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2,3,16,20,25-pentahydroxy-5-cucurbiten-22-one

{"Ingredient_id": "HBIN003796","Ingredient_name": "2,3,16,20,25-pentahydroxy-5-cucurbiten-22-one","Alias": "NA","Ingredient_formula": "C30H50O6","Ingredient_Smile": "NA","Ingredient_weight": "506.71","OB_score": "NA","CAS_id": "132741-66-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9024","PubChem_id": "NA","DrugBank_id": "NA"}

2,3,16,20,25-pentahydroxy-9-methyl-19-nor-lanost-5-en-22-one

{"Ingredient_id": "HBIN003797","Ingredient_name": "2,3,16,20,25-pentahydroxy-9-methyl-19-nor-lanost-5-en-22-one","Alias": "NA","Ingredient_formula": "C30H50O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16840","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

ajugasterone b

ajugasterone B

{"Ingredient_id": "HBIN014985","Ingredient_name": "ajugasterone b","Alias": "ajugasterone B","Ingredient_formula": "C29H46O7","Ingredient_Smile": "CCC(CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)C(=C)CO","Ingredient_weight": "506.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01259;SMIT09147","TCMID_id": "810","TCMSP_id": "MOL007772","TCM_ID_id": "7094","PubChem_id": "24984734","DrugBank_id": "NA"}

2,6-bis(acetyloxy)-4-(5-hydroxy-3-methylpent-3-en-1-yl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl 3-methylbutanoate

2-(2-{9-hydroxy-2,3,8,8-tetramethyl-7,12-dioxatricyclo[7.2.1.0¹,⁶]dodecan-2-yl}ethyl)-2,3,9,9-tetramethyl-7,10-dioxatricyclo[6.2.2.0¹,⁶]dodecan-8-ol

3a,7,8-trihydroxy-1-[5-(3-hydroxy-3-methylbutyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,5,6,8-tetrol

6-{3,15-dihydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-6-yl}-2-methylhept-5-ene-2,3,4-triol

6-{3,4'-dihydroxy-2,2,5a,7-tetramethyl-hexahydro-3h-spiro[1-benzoxepine-6,2'-oxolan]-5'-yl}-2,2,5a,6-tetramethyl-tetrahydro-4h-cyclopenta[b]oxepin-3-one

(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2s,3r)-2,3,6-trihydroxy-5-(prop-1-en-2-yl)heptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

8-(1,5-dihydroxy-1-isopropyl-3a-methyl-hexahydroinden-5-yl)-1,3-dihydroxy-4,4,7a,10b-tetramethyl-octahydro-1h-indeno[5,4-b]oxepin-2-one

(6s,18z,30e,32s)-tetratriaconta-18,30-dien-2,4,12,33-tetrayne-1,6,32-triol

C34H50O3 (506.37597500000004)

methyl 3-[7-(2-hydroxypropan-2-yl)-3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

(2s,3r)-2-[(1r,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-6-methylheptan-3-yl acetate

(1r,2s,3as,3bs,4r,5s,5as,7s,9as,9bs,10s,11as)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4,5,7,10-tetrahydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-2-yl acetate

(4bs,8as,10s)-10-{[(4ar,5r,8s,8ar)-5-hydroxy-8-isopropyl-5-methyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalen-2-yl]methyl}-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol

2,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-hexadecahydropicene-4a-carboxylic acid

(1s,2r,5r,7r,9s,10s,11s,16r)-9-hydroxy-1,2,11,15,15-pentamethyl-5-[(2r,4s,5r)-4,5,6-trihydroxy-6-methylheptan-2-yl]-6-oxapentacyclo[8.8.0.0²,⁷.0⁵,⁷.0¹¹,¹⁶]octadecan-14-one

1-[2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,3bh,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-7,8,11-triol

2,6-dihydroxy-6-methyl-2-{2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-1-yl}heptan-3-one

(1s,3s,5ar,7as,8s,10ar,10bs)-8-[(1r,3ar,5s,7as)-1,5-dihydroxy-1-isopropyl-3a-methyl-hexahydroinden-5-yl]-1,3-dihydroxy-4,4,7a,10b-tetramethyl-octahydro-1h-indeno[5,4-b]oxepin-2-one

(1r,3s,6r,7r,8s,11r,12s,15r,16s,19r,21r,23s)-1,8,19,23-tetrahydroxy-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricosane-7-carboxylic acid

4-{[(4e,7e)-1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl]oxy}-3-[(1-hydroxyethylidene)amino]-4-oxobutanimidic acid

(3s,4r,4ar,5s,6r,6ar,6br,8s,8as,12as,14ar,14br)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,5,6,8-tetrol

9-hydroxy-1,2,11,15,15-pentamethyl-5-(4,5,6-trihydroxy-6-methylheptan-2-yl)-6-oxapentacyclo[8.8.0.0²,⁷.0⁵,⁷.0¹¹,¹⁶]octadecan-14-one

(1r,3as,5ar,7s,9ar,9br,11ar)-3a-hydroxy-9a,11a-dimethyl-5-oxo-1-[(2r,3s)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate

(1r,2s,3as,3bs,4r,5r,5ar,7s,9ar,9bs,11as)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4,5,5a,7-tetrahydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

15-(5,6-dihydroxy-6-methylheptan-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

3-[(1r,2r,4ar,4bs,5s,6ar,7s,10ar,12ar)-2-[(2r)-1,2-dihydroxypropan-2-yl]-5,7-dihydroxy-1,4a,4b,6a,9,9-hexamethyl-3,4,5,6,7,8,10,10a,12,12a-decahydro-2h-chrysen-1-yl]propanoic acid

(3s,6s,9e)-5,8-dihydroxy-6-isopropyl-9,11,13,15,17,20-hexamethyl-3-(sec-butyl)-1-oxa-4,7-diazacycloicosa-4,7,9-trien-2-one

C30H54N2O4 (506.4083364)

(1s,5s,8s,11s,16s,17s,20s,23s)-8,20-dihydroxy-1,7,7,11,17,21,21-heptamethyl-6,22-dioxatetracyclo[14.9.0.0⁵,¹¹.0¹⁷,²³]pentacosane-2,13-dione

methyl 3-[(3s,3ar,5ar,6s,7r,9ar,9br)-7-(2-hydroxypropan-2-yl)-3-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

(1s,3as,5ar,7r,8s,9ar,9br,10r,11ar)-1-[(2r,4r,5r)-2,4-dimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one

(1s,3as,5ar,7r,8s,9ar,9br,10r,11ar)-1-[(2r,4r,5r)-2,4-dimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one