Exact Mass: 645.3275
Exact Mass Matches: 645.3275
Found 150 metabolites which its exact mass value is equals to given mass value 645.3275,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aconitine
(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
D049990 - Membrane Transport Modulators > D062687 - Sodium Channel Agonists > D061585 - Voltage-Gated Sodium Channel Agonists D007155 - Immunologic Factors Aconitine is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. It is functionally related to an aconitane. Aconitine is a natural product found in Aconitum anthora, Aconitum napellus, and other organisms with data available. Aconitine is a plant toxin found in species of wolfsbane (Aconitum genus). It is a neurotoxin previously used as an antipyretic and analgesic, and still has some limited application in herbal medicine. (L1235). The toxic effects of Aconitine have been tested in a variety of different test animals, including mammals (dog, cat, guinea pig, mouse, rat and rabbit), frogs and pigeons. Depending on the route of exposure, the observed toxic effects were: local anesthetic effect, diarrhea, convulsions, arrhythmias or death. According to a review of different reports of aconite poisoning in humans the following clinical features were observed: Neurological, Cardiovascular, Ventricular arrhythmias, Gastrointestinal. A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM; DELPHINIUM and larkspurs. It activates VOLTAGE-GATED SODIUM CHANNELS. It has been used to induce ARRHYTHMIAS in experimental animals and it has anti-inflammatory and anti-neuralgic properties. See also: Aconitum coreanum root (part of). Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2309
Janthitrem F
12,21-Dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl acetic acid
Janthitrem F is produced by Penicillium janthinellum. Tremorgenic mycotoxi Production by Penicillium janthinellum. Tremorgenic mycotoxin.
S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione
(5Z)-7-[(1R,2R)-2-[(3S)-1-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-3-hydroxyoctyl]-3-hydroxycyclopentyl]hept-5-enoic acid
S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione is the glutathione conjugate of S-(11-hydroxy-9-deoxy-delta12-PGD2) [HMDB] S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione is the glutathione conjugate of S-(11-hydroxy-9-deoxy-delta12-PGD2).
S-(9-hydroxy-PGA1)-glutathione
7-[(1R,2S)-3-{[(2S)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulphanyl}-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoic acid
S-(9-hydroxy-PGA1)-glutathione is the glutathione conjugate of S-(9-hydroxy-PGA1). Avian red cells metabolize PGA, to 9-hydroxyl PGA1-GSH, presumably by the combined actions of glutathione-S-transferase (or ligandin) and prostaglandin 9-keto reductase(4, 12). Since conversion of PGAl to the polar metabolite is rapid and nearly complete, PGA1-GSH is the form is which PGAl acts to inhibit cAMP export by avian red cells. S-(9-hydroxy-PGA1)-glutathione is the glutathione conjugate of S-(9-hydroxy-PGA1)
Aconitinum
8-(Acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoic acid
5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene
3-(Benzyloxy)-N-(1-{[1-(benzyloxy)-4-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}-2-phenylethyl)-2-{[(tert-butoxy)(hydroxy)methylidene]amino}propanimidate
5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene can be found in black crowberry, which makes 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene a potential biomarker for the consumption of this food product.
Euphoheliosnoid A
Euphoheliosnoid A
[(1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-3a,4-diacetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-11-yl] pyridine-3-carboxylate is a natural product found in Euphorbia helioscopia with data available.
(?)-(A-b)-8beta-acetoxy-14alpha-benzoyloxy-N-ethyl-3alpha,10beta,13beta-trihydroxy-1alpha,6alpha,16beta,18-tetramethoxyaconitane
(?)-(A-b)-8beta-acetoxy-14alpha-benzoyloxy-N-ethyl-3alpha,10beta,13beta-trihydroxy-1alpha,6alpha,16beta,18-tetramethoxyaconitane
Acoforestinine
[(1S,2R,3R,4R,5S,6S,8R,10R,13R,14R,16S,17S,18R)-8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
OXONITINE
OXONITINE
A diterpene alkaloid with formula C33H43NO12, originally isolated from Aconitum carmichaeli.
Glu Arg Arg Trp
(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butanoic acid
Glu Arg Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
Glu Trp Arg Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
Phe Phe Phe Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid
Phe Phe Trp Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid
Phe Trp Phe Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanoic acid
Arg Glu Arg Trp
(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid
Arg Glu Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
Arg Arg Glu Trp
(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Arg Arg Trp Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid
Arg Val Trp Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Arg Trp Glu Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid
Arg Trp Arg Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]pentanedioic acid
Arg Trp Val Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid
Arg Trp Trp Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid
Val Arg Trp Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Val Trp Arg Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid
Val Trp Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
Trp Glu Arg Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
Trp Phe Phe Phe
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-phenylpropanoic acid
Trp Arg Glu Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-carboxybutanamido]-5-carbamimidamidopentanoic acid
Trp Arg Arg Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]pentanedioic acid
Trp Arg Val Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid
Trp Arg Trp Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid
Trp Val Arg Trp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid
Trp Val Trp Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic acid
Trp Trp Arg Val
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-methylbutanoic acid
Trp Trp Val Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanoic acid
Janthitrem F
12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0^{2,15}.0^{3,12}.0^{6,11}.0^{18,30}.0^{20,28}.0^{22,27}]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
[3-(9H-Carbazol-4-yloxy)-2-hydroxy]propyl Carvedilol
[3-(9H-Carbazol-4-yloxy)-2-hydroxy]propyl Carvedilol
β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, tetrahydrate
β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, tetrahydrate
8-(Acetyloxy)-20-formyl-3,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl benzoate
8-(Acetyloxy)-20-formyl-3,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl benzoate
1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9S,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9S,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9S,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9S,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3S,9S,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3S,9S,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9S,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9S,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3S,9S,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3S,9S,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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]-1-methyl-3-phenylurea
2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol
2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol
2-amino-3-[hydroxy-[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-octanoyloxypropoxy]phosphoryl]oxypropanoic acid
2-amino-3-[hydroxy-[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-octanoyloxypropoxy]phosphoryl]oxypropanoic acid
2-amino-3-[[3-hexanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-hexanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-decanoyloxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-decanoyloxy-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-butanoyloxy-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-butanoyloxy-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
[(1S,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-formyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(1S,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-formyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
(2S)-2-amino-3-[[3-[(E)-dec-4-enoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[3-[(E)-dec-4-enoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[3-decanoyloxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[3-decanoyloxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Cyclo(Arg-Gly-Asp-D-Tyr-ε-azido-Nle)
Cyclo(Arg-Gly-Asp-D-Tyr-ε-azido-Nle)
Cyclo(Arg-Gly-Asp-D-Tyr-ε-azido-Nle) (Azido-c(RGDyK)) is a polypeptide composed of arginine, glycine, aspartic acid, and tyrosine that can be used for Synthesis of [18F]FPyKYNE-c(RGDyK)[1].
8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(1s,2r,3r,4r,5r,6s,7s,8s,9r,10r,13s,15s,16r,17r,18s)-8-(acetyloxy)-11-ethyl-5,7,15-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5r,6s,7s,8s,9r,10r,13s,15s,16r,17r,18s)-8-(acetyloxy)-11-ethyl-5,7,15-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(2r,3s,3as,6r,12r,13r,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl pyridine-3-carboxylate
(2r,3s,3as,6r,12r,13r,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl pyridine-3-carboxylate
(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13s,15s,16r,17r,18r)-8-(acetyloxy)-11-ethyl-5,7,15-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13s,15s,16r,17r,18r)-8-(acetyloxy)-11-ethyl-5,7,15-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(3s,6s,9r,12s,19r)-9-benzyl-3-[(2s)-butan-2-yl]-19-butyl-5,8,11,14,17-pentahydroxy-6-[(1r)-1-hydroxyethyl]-12-isopropyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one
(3s,6s,9r,12s,19r)-9-benzyl-3-[(2s)-butan-2-yl]-19-butyl-5,8,11,14,17-pentahydroxy-6-[(1r)-1-hydroxyethyl]-12-isopropyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one
(1s,2s,3r,4s,5r,6s,7r,8r,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2s,3r,4s,5r,6s,7r,8r,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
4-methylaconitane-1,6,8,10,13,14,15,16,18-nonol; (1α,6α,14α,15α,16β)-form,o6,o16,o18-tri-me,14-benzoyl,8,n-di-ac
NA
{"Ingredient_id": "HBIN010681","Ingredient_name": "4-methylaconitane-1,6,8,10,13,14,15,16,18-nonol; (1\u03b1,6\u03b1,14\u03b1,15\u03b1,16\u03b2)-form,o6,o16,o18-tri-me,14-benzoyl,8,n-di-ac","Alias": "NA","Ingredient_formula": "C33H43NO12","Ingredient_Smile": "NA","Ingredient_weight": "645.69","OB_score": "NA","CAS_id": "125263-91-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7781","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,3r,4r,5s,6s,7s,8r,9r,13r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5s,6s,7s,8r,9r,13r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1r,2s,3s,4s,5r,6s,7s,8s,9r,10r,13r,14r,16r,17r,18r)-4-benzoyl-11-ethyl-2,5,7,8-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-14-yl acetate
(1r,2s,3s,4s,5r,6s,7s,8s,9r,10r,13r,14r,16r,17r,18r)-4-benzoyl-11-ethyl-2,5,7,8-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-14-yl acetate
14-(acetyloxy)-11-ethyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
14-(acetyloxy)-11-ethyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
6-{9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl}hexanoic acid
6-{9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl}hexanoic acid
13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl pyridine-3-carboxylate
13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl pyridine-3-carboxylate
6-[(3s,6s,9s,15ar)-9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl]hexanoic acid
6-[(3s,6s,9s,15ar)-9-benzyl-1,4,7-trihydroxy-6-[(1-methoxyindol-3-yl)methyl]-10-oxo-3h,6h,9h,12h,13h,14h,15h,15ah-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl]hexanoic acid
4-benzoyl-11-ethyl-2,5,7,8-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-14-yl acetate
4-benzoyl-11-ethyl-2,5,7,8-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-14-yl acetate
(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(2e,8z,10e)-3-hexyl-12,14-dihydroxy-9,15-dimethyl-6-[(5e,7e)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one
(2e,8z,10e)-3-hexyl-12,14-dihydroxy-9,15-dimethyl-6-[(5e,7e)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one
(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-14-(acetyloxy)-11-ethyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-14-(acetyloxy)-11-ethyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5r,6s,7s,8s,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5r,6s,7s,8s,9r,10r,13r,14r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(2s,3s,4s)-n-[(5r)-2,4-dihydroxy-5,6-dihydropyrimidin-5-yl]-3-hydroxy-4-({hydroxy[(3s)-2-[(2r,3r)-3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl]-4,5-dihydro-3h-pyridazin-3-yl]methylidene}amino)-2-methyl-5-phenylpentanimidic acid
(2s,3s,4s)-n-[(5r)-2,4-dihydroxy-5,6-dihydropyrimidin-5-yl]-3-hydroxy-4-({hydroxy[(3s)-2-[(2r,3r)-3-hydroxy-2-[(1-hydroxy-2-methoxyethylidene)amino]-4-methylpentanoyl]-4,5-dihydro-3h-pyridazin-3-yl]methylidene}amino)-2-methyl-5-phenylpentanimidic acid
(1s,2r,3r,4s,5r,6s,7r,8r,9r,10r,13r,14r,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4s,5r,6s,7r,8r,9r,10r,13r,14r,16r,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(2s,3r,6s,8s,9r,12s,15s,21r,22s)-12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
(2s,3r,6s,8s,9r,12s,15s,21r,22s)-12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(2s,3s,3as,6r,12r,13r,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl pyridine-3-carboxylate
(2s,3s,3as,6r,12r,13r,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1h,2h,3h,3ah,6h,7h,12h,13h-cyclopenta[12]annulen-6-yl pyridine-3-carboxylate
