Exact Mass: 520.3261
Exact Mass Matches: 520.3261
Found 500 metabolites which its exact mass value is equals to given mass value 520.3261
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cyasteron
Cyasterone is a steroid lactone, a 21-hydroxy steroid, a 2beta-hydroxy steroid, a 3beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 20-hydroxy steroid, a 6-oxo steroid and a phytoecdysteroid. Cyasterone is a natural product found in Ajuga decumbens, Ajuga iva, and other organisms with data available. Cyasterone, a natural EGFR inhibitor, mainly isolated from Ajuga decumbens Thunb (Labiatae). Cyasterone manifests anti-proliferation effect by induced apoptosis and cell cycle arrests. Cyasterone may serves as a therapeutic anti-tumor agent against human tumors[1]. Cyasterone, a natural EGFR inhibitor, mainly isolated from Ajuga decumbens Thunb (Labiatae). Cyasterone manifests anti-proliferation effect by induced apoptosis and cell cycle arrests. Cyasterone may serves as a therapeutic anti-tumor agent against human tumors[1].
Soraphen A
A macrolide and an agent highly effective against plant-pathogenic fungi. It was extensively researched for agricultural use until it was discovered to be a teratogen.
24,25-Diacetylvulgaroside
24,25-Diacetylvulgaroside is found in fruits. 24,25-Diacetylvulgaroside is a constituent of Cydonia vulgaris (quince). Constituent of Cydonia vulgaris (quince). 24,25-Diacetylvulgaroside is found in fruits.
Digoxigenin monodigitoxoside
Digoxigenin monodigitoxoside is a metabolite of digoxin. Digoxin is a purified cardiac glycoside and extracted from the foxglove plant, Digitalis lanata. Its corresponding aglycone is digoxigenin, and its acetyl derivative is acetyldigoxin. Digoxin is widely used in the treatment of various heart conditions, namely atrial fibrillation, atrial flutter and sometimes heart failure that cannot be controlled by other medication. Digoxin preparations are commonly marketed under the trade names Lanoxin, Digitek, and Lanoxicaps. (Wikipedia)
LysoPA(24:1(15Z)/0:0)
LysoPA(24:1(15Z)/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(24:1(15Z)/0:0), in particular, consists of one chain of nervonic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
Chenodeoxycholylglutamine
Chenodeoxycholylglutamine 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. Chenodeoxycholylglutamine consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Glutamine 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 Chenodeoxycholylglutamine, 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). Chenodeoxycholylglutamine 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).
Deoxycholylglutamine
Deoxycholylglutamine 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. Deoxycholylglutamine consists of the bile acid deoxycholic acid conjugated to the amino acid Glutamine 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 Deoxycholylglutamine, 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). Deoxycholylglutamine 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).
Cyasterone
Platycodigenin
5,10,11-Trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid is a natural product found in Platycodon grandiflorus with data available. Platicodigenin isolated from platycodon grandiflorum. Platicodigenin isolated from platycodon grandiflorum.
Cucurbitacin IIb
Cucurbitacin IIb is a natural product found in Physocarpus capitatus, Begonia heracleifolia, and other organisms with data available. Cucurbitacin IIb is an active component isolated from Hemsleya amabilis, induces apoptosis with anti-inflammatory activity. Cucurbitacin IIb inhibits phosphorylation of STAT3, JNK and Erk1/2, enhances the phosphorylation of IκB and NF-κB (p65), blocks nuclear translocation of NF-κB (p65) and decreases mRNA levels of IκBα and TNF-α[1]. Cucurbitacin IIb is an active component isolated from Hemsleya amabilis, induces apoptosis with anti-inflammatory activity. Cucurbitacin IIb inhibits phosphorylation of STAT3, JNK and Erk1/2, enhances the phosphorylation of IκB and NF-κB (p65), blocks nuclear translocation of NF-κB (p65) and decreases mRNA levels of IκBα and TNF-α[1].
Ecdysterone 20,22-monoacetonide
Origin: Plant; SubCategory_DNP: The sterols, Cholestanes
1beta,3beta,5alpha,23,24-Pentahydroxy-30-norolean-12,20(29)-dien-28-oic acid
Trachelosperogenin B
A pentacyclic triterpenoid that is urs-12-ene carrying a carboxy substituent at position 28 as well as five hydroxy substituents at positions 2, 3, 19, 23 and 24 (the 2alpha,3beta stereoisomer).
caseargrewiin K|rel-(2R,5S,6R,7R,8S,9S,10S,18S,19S)-18-methoxy-19-acetoxy-18,19-epoxy-2-hexanoyloxy-6,7-dihydroxycleroda-3,12(Z),14-triene
N-demethyl-integerrenine|N-methyl-L-isoleucine (4S)-7t-isobutyl-5,8-dioxo-3t-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide|Nummularin-D|Nummularine D|nummularine-D
17alpha-H-periplogenin 3-O-beta-D-digitoxoside|3beta-(beta-D-ribo-2,6-dideoxy-hexopyranosyloxy)-5,14-dihydroxy-5beta,14beta-L-card-20(22)-enolide|3beta-(beta-D-ribo-2,6-Didesoxy-hexopyranosyloxy)-5,14-dihydroxy-5beta,14beta-L-card-20(22)-enolid|periplogenin 3-O-beta-D-digitoxopyranoside|periplogenin 3-O-beta-digitoxoside
(2beta,3beta,16beta,21beta)-2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid
(1beta,2alpha,3beta,16beta,19beta)-1,2,3,16,19-pentahydroxyolean-12-en-28-oic acid
(1beta,2alpha,3beta,19beta,23)-1,2,3,19,23-pentahydroxyolean-12-en-28-oic acid
3-[(2,6-dideoxyhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
acovenosigenin A 3-O-beta-digitoxopyranosyde|acovenosigenin A 3-O-beta-digitoxoside|acovenosigenin A digitoxoside
2alpha-(3-angeloyloxy-2-hydroxy-2-methyl butyryloxy)-labd-7-en-15-oic acid|2alpha-<3-angeloyloxy-2-hydroxy-2-methyl butyryloxy>-labd-7-en-15-oic acid
N,N-dimethyl-L-isoleucine (4S)-7t-isopropyl-5,8-dioxo-3t-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide|Sativanin A|Sativanine A|sativanine-A
16alpha-hydroxy protobassic acid|16alpha-hydroxyprotobassic acid|2beta,3beta,6beta,16alpha,23-pentahydroxyolean-12-en-28-oic acid
Ala Phe Lys Arg
Asn Ile Phe Lys
Phe Val Lys Lys
Lys Phe Ala Arg
C29H44O8_Card-20(22)-enolide, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-, (3beta,9xi)
C29H44O8_Stigmast-7-ene-6,26-dione, 26,28-epoxy-2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,9xi,22R,24S,25S,28R)
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one_major
(3S,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one_69.7\\%
Ala Phe Arg Lys
Ala Lys Phe Arg
Ala Lys Arg Phe
Ala Arg Phe Lys
Ala Arg Lys Phe
Phe Ala Lys Arg
Phe Ala Arg Lys
Phe Ile Lys Asn
Phe Ile Asn Lys
Phe Lys Ala Arg
Phe Lys Ile Asn
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Phe Lys Leu Asn
Phe Lys Asn Ile
Phe Lys Asn Leu
Phe Lys Gln Val
Phe Lys Arg Ala
Phe Lys Val Lys
Phe Lys Val Gln
Phe Leu Lys Asn
Phe Leu Asn Lys
Phe Asn Ile Lys
Phe Asn Lys Ile
Phe Asn Lys Leu
Phe Asn Leu Lys
Phe Gln Lys Val
Phe Gln Val Lys
Phe Arg Ala Lys
Phe Arg Lys Ala
Phe Val Lys Gln
Phe Val Gln Lys
Ile Phe Lys Asn
Ile Phe Asn Lys
Ile Ile Ile Tyr
Ile Ile Leu Tyr
Ile Ile Tyr Ile
Ile Ile Tyr Leu
Ile Lys Phe Asn
Ile Lys Asn Phe
Ile Leu Ile Tyr
Ile Leu Leu Tyr
Ile Leu Tyr Ile
Ile Leu Tyr Leu
Ile Asn Phe Lys
Ile Asn Lys Phe
Ile Tyr Ile Ile
Ile Tyr Ile Leu
Ile Tyr Leu Ile
Ile Tyr Leu Leu
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Lys Ala Arg Phe
Lys Phe Ile Asn
Lys Phe Lys Val
Lys Phe Leu Asn
Lys Phe Asn Ile
Lys Phe Asn Leu
Lys Phe Gln Val
Lys Phe Arg Ala
Lys Phe Val Lys
Lys Phe Val Gln
Lys Ile Phe Asn
Lys Ile Asn Phe
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Lys Lys Val Phe
Lys Leu Phe Asn
Lys Leu Asn Phe
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Lys Gln Val Phe
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Lys Arg Phe Ala
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Lys Val Gln Phe
Leu Phe Lys Asn
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Leu Ile Ile Tyr
Leu Ile Leu Tyr
Leu Ile Tyr Ile
Leu Ile Tyr Leu
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Leu Leu Ile Tyr
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Leu Leu Tyr Ile
Leu Leu Tyr Leu
Leu Asn Phe Lys
Leu Asn Lys Phe
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Leu Tyr Ile Leu
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Asn Leu Phe Lys
Asn Leu Lys Phe
Digoxigenin monodigitoxoside
A steroid saponin that consists of digoxigenin having a digitoxosyl residue attached at position 3. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
Gln Phe Lys Val
Gln Phe Val Lys
Gln Lys Phe Val
Gln Lys Val Phe
Gln Val Phe Lys
Gln Val Lys Phe
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Arg Ala Lys Phe
Arg Phe Ala Lys
Arg Phe Lys Ala
Arg Lys Ala Phe
Arg Lys Phe Ala
Val Phe Lys Lys
Val Phe Lys Gln
Val Phe Gln Lys
Val Lys Phe Lys
Val Lys Phe Gln
Val Lys Lys Phe
Val Lys Gln Phe
Val Gln Phe Lys
Val Gln Lys Phe
Tyr Ile Ile Ile
Tyr Ile Ile Leu
Tyr Ile Leu Ile
Tyr Ile Leu Leu
Tyr Leu Ile Ile
Tyr Leu Ile Leu
Tyr Leu Leu Ile
Tyr Leu Leu Leu
(5Z,7E)-(1S,3R)-11-(4-hydroxymethylphenyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol
U-83836E
24,25-Diacetylvulgaroside
Superecdysone C
Superecdysone D
tert-butyl 4-(((2-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)Methyl)-6-MethylpyriMidin-4-yloxy)Methyl)piperidine-1-carboxylate
evomonoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
2-[2-(17-Azaniumyl-4,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-5-yl)oxy-2-oxoethyl]butanedioate
3-[(3S,5R,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
[3-carboxy-2-[(4E,8E,10E,12E,14E,19E)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,9E,11E,13E,15E,19E)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E,11E)-10-hydroxy-12-[5-hydroxy-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]dodeca-4,7,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E,11E)-10-hydroxy-12-[3-hydroxy-5-oxo-2-[(E)-pent-2-enyl]cyclopentyl]dodeca-4,7,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[3-[5-hydroxy-2-[(1E,5E,8E,11E)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoyloxy]propyl]-trimethylazanium
[3-carboxy-2-[3-[3-hydroxy-2-[(1E,5E,8E,11E)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-5-oxocyclopentyl]propanoyloxy]propyl]-trimethylazanium
[3-carboxy-2-[(E)-6-[3-hydroxy-2-[(1E,5Z,8E)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E)-9-[3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]nona-4,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E,10E)-12-[3-hydroxy-2-[(E)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-hydroxy-6-[5-hydroxy-3-oxo-2-[(2E,5Z,8E)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,8E)-7-hydroxy-9-[5-hydroxy-2-[(2E,5Z)-octa-2,5-dienyl]-3-oxocyclopentyl]nona-4,8-dienoyl]oxypropyl]-trimethylazanium
3-cyclohexyl-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
(1R)-1-(hydroxymethyl)-7-methoxy-1-[(3-methoxyphenyl)methyl]-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
3-cyclohexyl-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-propan-2-ylurea
3-cyclohexyl-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-3-propan-2-ylurea
(1S)-1-(hydroxymethyl)-7-methoxy-1-[(3-methoxyphenyl)methyl]-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
2-[Hydroxy-(2-hydroxy-3-octadeca-9,12-dienoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(2E,4E)-octadeca-2,4-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2,3-dihydroxypropyl [2-hydroxy-3-[(11Z,14Z,17Z)-icosa-11,14,17-trienoxy]propyl] hydrogen phosphate
(2-hydroxy-3-phosphonooxypropyl) (Z)-tetracos-13-enoate
2-[hydroxy-[2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[1-Octanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] nonanoate
[1-Hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] undecanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] tetradecanoate
[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] dodecanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] tridecanoate
[1-Heptanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] decanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] pentadecanoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (Z)-hexadec-9-enoate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (Z)-octadec-9-enoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-icos-11-enoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (Z)-nonadec-9-enoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-henicos-11-enoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (Z)-heptadec-9-enoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (Z)-pentadec-9-enoate
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tetradec-9-enoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tridec-9-enoate
(1R,2S,5S,12E,14S,15S,16S,17S)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
2-[hydroxy-[(2R)-3-hydroxy-2-[(9Z,12E)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(9E,11E)-octadeca-9,11-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-hydroxy-2-[(4Z,7Z)-octadeca-4,7-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-[(6E,9E)-octadeca-6,9-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[2-acetyloxy-3-[(9Z,12Z)-hexadeca-9,12-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
MGDG(17:0)
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(4r,6r)-4,6-dimethyl-3,7-dioxononan-5-yl (2r,3r,4s,6s)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate
(2s)-2-({[(3r,4e)-1-[(2s)-6-carbamimidamido-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]hexanoyl]-4-ethylidene-3-methylpyrrolidin-2-yl](hydroxy)methylidene}amino)-4-methylpentanoic acid
5-[7-({2-hydroxy-2-methyl-3-[(2-methylbut-2-enoyl)oxy]butanoyl}oxy)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
2-methyl-2-[(1s,5s,6r,9s,10r,16s)-5,9,10-trimethyl-3-oxo-13-[(2r,4s,5r)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadec-13-en-6-yl]propanoic acid
3a,7,8-trihydroxy-1-[5-(4-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1r,3s,4r,8s,10r,11s,14r)-4-hydroxy-10,11-dimethyl-7-methylidene-2,5-dioxatetracyclo[8.4.0.0¹,³.0⁴,⁸]tetradecan-14-yl (2r,3s,4e)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
(1r,2r,4s,8r,10r,14s,17s,18r)-14-hydroxy-2,6,6,18-tetramethyl-17-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-5,7-dioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icos-12-en-11-one
4-{7-[(3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3a,10-dihydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
1,10,11-trihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
(1r,2r,3as,3br,7s,8s,9ar,9br,11ar)-1-[(2r)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-10-one
1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
(5r)-4-[(3r)-3-[(5ar,7r,8s,9ar,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]-2,3-dihydroxybutyl]-3,5-dimethyloxolan-2-one
10-deacetylyunnanaxane
{"Ingredient_id": "HBIN000093","Ingredient_name": "10-deacetylyunnanaxane","Alias": "NA","Ingredient_formula": "C29H44O8","Ingredient_Smile": "CC1=C2C(CC3(CCC(C(=C)C3C(C(C2(C)C)C(C1)OC(=O)C(C)C(C)O)OC(=O)C)OC(=O)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4792","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
20-hydroxyecdysone-20,22-monoacetonide
{"Ingredient_id": "HBIN003411","Ingredient_name": "20-hydroxyecdysone-20,22-monoacetonide","Alias": "NA","Ingredient_formula": "C30H48O7","Ingredient_Smile": "CC1(OC(C(O1)(C)C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)CCC(C)(C)O)C","Ingredient_weight": "520.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10064","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101243097","DrugBank_id": "NA"}
20-hydroxyecdysone-2,3,acetonide
{"Ingredient_id": "HBIN003413","Ingredient_name": "20-hydroxyecdysone-2,3,acetonide","Alias": "NA","Ingredient_formula": "C30H48O7","Ingredient_Smile": "CC1(OC2CC3C(=O)C=C4C(C3(CC2O1)C)CCC5(C4(CCC5C(C)(C(CCC(C)(C)O)O)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42190","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}