Exact Mass: 668.2963234

Exact Mass Matches: 668.2963234

Found 127 metabolites which its exact mass value is equals to given mass value 668.2963234, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Lycaconitine

Lycaconitine

C36H48N2O10 (668.3308787999999)


Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid

   
   

Agrimol C

1-[3,5-bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]butan-1-one

C36H44O12 (668.2832624)


   

Filicin

4-[[3-[[2,6-dihydroxy-3,3-dimethyl-4-oxo-5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone

C36H44O12 (668.2832624)


   

Tejedine

Methyl 3-[4-({6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)phenoxy]-4-hydroxybenzoic acid

C38H40N2O9 (668.2733670000001)


Tejedine is found in fruits. Tejedine is an alkaloid from Berberis vulgaris ssp. australis (barberry). Alkaloid from Berberis vulgaris sspecies australis (barberry). Tejedine is found in tea and fruits.

   

Isolimonic acid glucoside

9b-(2-carboxy-1-hydroxyethyl)-7-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2-oxirane]-3-carboxylic acid

C32H44O15 (668.2680074)


Isolimonic acid glucoside is found in citrus. Isolimonic acid glucoside is a constituent of Citrus aurantium. Constituent of Citrus aurantium. Isolimonic acid glucoside is found in citrus.

   

Ichangic acid 17-beta-D-glucopyranoside

6-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-4a,6-dimethyl-4,6-dioxo-tetrahydro-2H-dispiro[oxane-3,1-naphthalene-5,2-oxirane]-3-carboxylic acid

C32H44O15 (668.2680074)


Ichangic acid 17-beta-D-glucopyranoside is found in citrus. Ichangic acid 17-beta-D-glucopyranoside is a constituent of Citrus aurantium (Seville orange). Constituent of Citrus aurantium (Seville orange). Ichangic acid 17-beta-D-glucopyranoside is found in citrus.

   

Myricanol 5-[arabinosyl-(1->6)-glucoside]

2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

C32H44O15 (668.2680074)


Myricanol 5-[arabinosyl-(1->6)-glucoside] is found in fruits. Myricanol 5-[arabinosyl-(1->6)-glucoside] is a constituent of Myrica rubra (Chinese bayberry). Constituent of Myrica rubra (Chinese bayberry). Myricanol 5-[arabinosyl-(1->6)-glucoside] is found in fruits.

   

16-Deacetylgeyerline

{11-ethyl-6,8,9-trihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoic acid

C36H48N2O10 (668.3308787999999)


   

Cryptophycin 52

10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

C36H45ClN2O8 (668.2864280000001)


   

Z-Devd-fmk

2-[(2-{[(benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-4-methoxy-4-oxobutylidene)amino]-N-{1-[(5-fluoro-1-methoxy-1,4-dioxopentan-3-yl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-5-methoxy-5-oxopentanimidate

C30H41FN4O12 (668.2704878)


   

5-Hydroxythalifaboramine

(+)-5-Hydroxythalifaboramine

C39H44N2O8 (668.3097504000001)


   
   

3-Hydroxythalifaboramine

(+)-3-Hydroxythalifaboramine

C39H44N2O8 (668.3097504000001)


   
   
   
   

3-Hydroxy-6-desmethyl-9-O-methylthalifaboramine

3-Hydroxy-6-desmethyl-9-O-methylthalifaboramine

C39H44N2O8 (668.3097504000001)


   
   

Thiomarinol E

Thiomarinol E

C32H48N2O9S2 (668.2801078)


An organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   
   
   
   
   
   

(1R,2S,4S,5S,6R,7R,8S,9R,10S)-8,9-dibenzyloxy-4,15-dihydroxy-1,2,6-triacetoxy-dihydro-beta-agarofuran

(1R,2S,4S,5S,6R,7R,8S,9R,10S)-8,9-dibenzyloxy-4,15-dihydroxy-1,2,6-triacetoxy-dihydro-beta-agarofuran

C35H40O13 (668.246879)


   

Tetramethyl-magnolamin|Tetramethylmagnolamin

Tetramethyl-magnolamin|Tetramethylmagnolamin

C40H48N2O7 (668.3461338)


   
   
   
   
   
   
   

N-deethyllycaconitine-N-aldehyde

N-deethyllycaconitine-N-aldehyde

C35H44N2O11 (668.2944954)


   

filixic acid BBB|Filixsaeure|Filixsaeure BBB|Filixsaeure-BBB

filixic acid BBB|Filixsaeure|Filixsaeure BBB|Filixsaeure-BBB

C36H44O12 (668.2832624)


   

6-Keto-7beta-deacetylnomilol 7-beta-D-glucopyranoside

6-Keto-7beta-deacetylnomilol 7-beta-D-glucopyranoside

C32H44O15 (668.2680074)


   

5-O-acetyl-20-O-deacetyl-4,20-p-hydroxylbenzylidenedioxytaxuyunnanine L

5-O-acetyl-20-O-deacetyl-4,20-p-hydroxylbenzylidenedioxytaxuyunnanine L

C36H44O12 (668.2832624)


   

1beta-hydroxy-10-deacetyl-10-glycolylbaccatin I|1??-Hydroxy-10-deacetyl-10-glycolylbaccatin I

1beta-hydroxy-10-deacetyl-10-glycolylbaccatin I|1??-Hydroxy-10-deacetyl-10-glycolylbaccatin I

C32H44O15 (668.2680074)


   
   
   
   

3-O-2S-methylbutyryl-3-deisobutyryloxymoluccensin K|moluccensin L

3-O-2S-methylbutyryl-3-deisobutyryloxymoluccensin K|moluccensin L

C37H48O11 (668.3196458)


   
   
   

11,14-epoxy-3beta,5alpha,7beta,8alpha,9alpha,15beta-hexaacetoxy-12-oxo-13alphaH-jatropha-6(17)-ene

11,14-epoxy-3beta,5alpha,7beta,8alpha,9alpha,15beta-hexaacetoxy-12-oxo-13alphaH-jatropha-6(17)-ene

C32H44O15 (668.2680074)


   

6-acetoxyhumilinolide C

6-acetoxyhumilinolide C

C36H44O12 (668.2832624)


   
   
   
   

4,16-dihydroxy-5beta,6beta-epoxyphysagulin D

4,16-dihydroxy-5beta,6beta-epoxyphysagulin D

C34H52O13 (668.3407741999999)


   

(51S,71S)-15,56,75,6,7-pentamethoxy-52,72-dimethyl-51,2,3,4,71,2,3,4-octahydro-2,6-dioxa-1(1,2),3(1,4)-dibenzena-5(1,7),7(8,1)-diisoquinolina-cyclooctaphan-16-ol|Thalibrunin

(51S,71S)-15,56,75,6,7-pentamethoxy-52,72-dimethyl-51,2,3,4,71,2,3,4-octahydro-2,6-dioxa-1(1,2),3(1,4)-dibenzena-5(1,7),7(8,1)-diisoquinolina-cyclooctaphan-16-ol|Thalibrunin

C39H44N2O8 (668.3097504000001)


   
   

Asp Trp Trp Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Asp Trp Tyr Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Asp Tyr Trp Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Phe Met Trp Trp

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

C36H40N6O5S (668.2780750000001)


   

Phe Trp Met Trp

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

C36H40N6O5S (668.2780750000001)


   

Phe Trp Trp Met

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

C36H40N6O5S (668.2780750000001)


   

Met Phe Trp Trp

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

C36H40N6O5S (668.2780750000001)


   

Met Trp Phe Trp

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

C36H40N6O5S (668.2780750000001)


   

Met Trp Trp Phe

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

C36H40N6O5S (668.2780750000001)


   

Trp Asp Trp Tyr

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Trp Asp Tyr Trp

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Trp Phe Met Trp

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

C36H40N6O5S (668.2780750000001)


   

Trp Phe Trp Met

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

C36H40N6O5S (668.2780750000001)


   

Trp Met Phe Trp

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

C36H40N6O5S (668.2780750000001)


   

Trp Met Trp Phe

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

C36H40N6O5S (668.2780750000001)


   

Trp Trp Asp Tyr

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Trp Trp Phe Met

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

C36H40N6O5S (668.2780750000001)


   

Trp Trp Met Phe

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

C36H40N6O5S (668.2780750000001)


   

Trp Trp Tyr Asp

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

C35H36N6O8 (668.2594496)


   

Trp Tyr Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Trp Tyr Trp Asp

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

C35H36N6O8 (668.2594496)


   

Tyr Asp Trp Trp

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Tyr Trp Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C35H36N6O8 (668.2594496)


   

Tyr Trp Trp Asp

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

C35H36N6O8 (668.2594496)


   

Tejedine

methyl 3-[4-({6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)phenoxy]-4-hydroxybenzoate

C38H40N2O9 (668.2733670000001)


   

Myricanol 5-[arabinosyl-(1->6)-glucoside]

2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

C32H44O15 (668.2680074)


   

Ichangic acid 17-b-D-glucopyranoside

6-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-4a,6-dimethyl-4,6-dioxo-octahydrodispiro[oxane-3,1-naphthalene-5,2-oxirane]-3-carboxylic acid

C32H44O15 (668.2680074)


   

Isolimonic acid glucoside

9a-(2-carboxy-1-hydroxyethyl)-3-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3,4a,7,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-4,2-oxirane]-3-carboxylic acid

C32H44O15 (668.2680074)


   

2-ethylhexyl 5,5-dibutyl-12-ethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate

2-ethylhexyl 5,5-dibutyl-12-ethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate

C30H60O4S2Sn (668.295479)


   
   

Z-Devd-fmk

Z-Devd-fmk

C30H41FN4O12 (668.2704878)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors

   

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

(13E)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

C36H45ClN2O8 (668.2864280000001)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators

   

Mitiglinide calcium

Mitiglinide calcium

C38H48CaN2O6 (668.3138098)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent D007004 - Hypoglycemic Agents

   
   

Ajugaciliatin C

Ajugaciliatin C

C34H49ClO11 (668.2963234)


A diterpene lactone isolated from the whole plants of Ajuga ciliata.

   

Euphorbiaproliferin D

Euphorbiaproliferin D

C36H44O12 (668.2832624)


A natural product found in Euphorbia prolifera.

   

Euphorbiaproliferin J

Euphorbiaproliferin J

C37H48O11 (668.3196458)


A natural product found in Euphorbia prolifera.

   
   

1-(5-carboxypentyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenyl-2H-chromen-2-ylidene]prop-1-en-1-yl}-3,3-dimethyl-3H-indolium-5-sulfonate

1-(5-carboxypentyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenyl-2H-chromen-2-ylidene]prop-1-en-1-yl}-3,3-dimethyl-3H-indolium-5-sulfonate

C39H44N2O6S (668.2919924)


   

6-[[2-(2,4-dihydroxyphenyl)-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[[2-(2,4-dihydroxyphenyl)-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C36H44O12 (668.2832624)


   

[(1S,4S,5R,6S,8R,9S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate

[(1S,4S,5R,6S,8R,9S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate

C36H48N2O10 (668.3308787999999)


   

Ichangic acid 17-beta-D-glucopyranoside

Ichangic acid 17-beta-D-glucopyranoside

C32H44O15 (668.2680074)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

Elinzanetant

Elinzanetant

C33H35F7N4O3 (668.2597244)


Elizanetant (NT-814) is an orally active, selective NK-1,3 receptor antagonist. Elizanetant can be used in vasomotor and schizophrenia studies[1][2].