Exact Mass: 645.304

Exact Mass Matches: 645.304

Found 136 metabolites which its exact mass value is equals to given mass value 645.304, 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

C34H47NO11 (645.3149)

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

Sterecyt

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

C35H45Cl2NO6 (645.2624)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents

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

C30H51N3O10S (645.3295)

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

C30H51N3O10S (645.3295)

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

C34H47NO11 (645.3149)

Prednimustine

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

C35H45Cl2NO6 (645.2624)

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

C37H47N3O7 (645.3414)

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.

[(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.

C34H47NO11

C34H47NO11 (645.3149)

C35H39N3O9

C35H39N3O9 (645.2686)

Zizyphine I

C36H47N5O6 (645.3526)

Zizyphine C

C36H47N5O6 (645.3526)

8-O-Ethylyunaconitine

C35H51NO10 (645.3513)

(?)-(A-b)-8beta-acetoxy-14alpha-benzoyloxy-N-ethyl-3alpha,10beta,13beta-trihydroxy-1alpha,6alpha,16beta,18-tetramethoxyaconitane

C34H47NO11 (645.3149)

polyschistine D

C34H47NO11 (645.3149)

C35H51NO10

C35H51NO10 (645.3513)

N,N-Di-coumaroyl-N-feruloylspermidine

C35H39N3O9 (645.2686)

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

C35H51NO10 (645.3513)

OXONITINE

C33H43NO12 (645.2785)

A diterpene alkaloid with formula C33H43NO12, originally isolated from Aconitum carmichaeli.

OXONITINE_major

C33H43NO12 (645.2785)

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

C28H43N11O7 (645.3347)

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

C28H43N11O7 (645.3347)

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

C28H43N11O7 (645.3347)

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

C38H39N5O5 (645.2951)

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

C38H39N5O5 (645.2951)

Phe Met Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid