Exact Mass: 668.3090988
Exact Mass Matches: 668.3090988
Found 240 metabolites which its exact mass value is equals to given mass value 668.3090988
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lycaconitine
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
Tejedine
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
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
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]
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
Cryptophycin 52
Myrtucommulone A
Z-Devd-fmk
Thiomarinol E
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
filixic acid BBB|Filixsaeure|Filixsaeure BBB|Filixsaeure-BBB
6-Keto-7beta-deacetylnomilol 7-beta-D-glucopyranoside
5-O-acetyl-20-O-deacetyl-4,20-p-hydroxylbenzylidenedioxytaxuyunnanine L
1beta-hydroxy-10-deacetyl-10-glycolylbaccatin I|1??-Hydroxy-10-deacetyl-10-glycolylbaccatin I
(3S)-3,6-diamino-N-[[(2S,5S,8E,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
3-O-2S-methylbutyryl-3-deisobutyryloxymoluccensin K|moluccensin L
11,14-epoxy-3beta,5alpha,7beta,8alpha,9alpha,15beta-hexaacetoxy-12-oxo-13alphaH-jatropha-6(17)-ene
(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
Asp Trp Trp Tyr
Asp Trp Tyr Trp
Asp Tyr Trp Trp
Phe Met Trp Trp
Phe Trp Met Trp
Phe Trp Trp Met
Met Phe Trp Trp
Met Trp Phe Trp
Met Trp Trp Phe
Trp Asp Trp Tyr
Trp Asp Tyr Trp
Trp Phe Met Trp
Trp Phe Trp Met
Trp Met Phe Trp
Trp Met Trp Phe
Trp Trp Asp Tyr
Trp Trp Phe Met
Trp Trp Met Phe
Trp Trp Tyr Asp
Trp Tyr Asp Trp
Trp Tyr Trp Asp
Tyr Asp Trp Trp
Tyr Trp Asp Trp
Tyr Trp Trp Asp
Tejedine
Myricanol 5-[arabinosyl-(1->6)-glucoside]
Ichangic acid 17-b-D-glucopyranoside
Isolimonic acid glucoside
2-ethylhexyl 5,5-dibutyl-12-ethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate
Z-Devd-fmk
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors
2,4-Bis[(R)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexenyl)-2-methylpropyl]-6-(2-methylpropanoyl)benzene-1,3,5-triol
(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
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators
Mitiglinide calcium
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent D007004 - Hypoglycemic Agents
Ajugaciliatin C
A diterpene lactone isolated from the whole plants of Ajuga ciliata.
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
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
[(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
[1-butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
[1-hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-hexadec-9-enoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-nonanoyloxypropan-2-yl] (Z)-tridec-9-enoate
[1-heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-nonadec-9-enoate
[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-icos-11-enoate
phosphatidylserine 28:5(1-)
A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 28 carbons in total and 5 double bonds.
Elinzanetant
Elizanetant (NT-814) is an orally active, selective NK-1,3 receptor antagonist. Elizanetant can be used in vasomotor and schizophrenia studies[1][2].
(2s)-2-{[(2s)-2-amino-1,3-dihydroxypropylidene]amino}-n-[(2s)-1-{[(2s,3s)-2-{[(2s,3s)-2-amino-1-hydroxy-3-methylpentylidene]amino}-3-methylpentanoyl]oxy}-1,5-dioxo-5-(phosphonooxy)pentan-2-yl]pentanediimidic acid
(9s)-6-(4-{[(1s)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-5-ol
2-{3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-2,3-dihydro-1-benzofuran-5-yl]propoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-(hydroxymethyl)-4-methyl-6-[1-(3,6,14-trihydroxy-2,16-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-15-yl)ethyl]-5,6-dihydropyran-2-one
[(1s,5r,6s,8r,9s,13s,16s)-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
5-{2-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy}-4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-16-ol
2-butanoyl-6-({3-butanoyl-5-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
2',5',7',9',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-10'-yl 2-hydroxyacetate
(1r,2r,4r,6r,8s,11s,15s,16r,17r,20r,22r,24s,27r,30s)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione
1-{3-[(3-{[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}-2,4,6-trihydroxy-5-(2-methylpropanoyl)phenyl)methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl}-2-methylpropan-1-one
5-hydroxy-2,2,6,6-tetramethyl-4-[(1r)-2-methyl-1-{2,4,6-trihydroxy-3-[(1r)-1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohex-1-en-1-yl)-2-methylpropyl]-5-(2-methylpropanoyl)phenyl}propyl]cyclohex-4-ene-1,3-dione
(9s)-6-(4-{[(1s)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}phenoxy)-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-14-ol
(1s,2s,7r,8s,9z,12s,13s,14r,15r,16r,17r)-2,12,14,16-tetrakis(acetyloxy)-8-chloro-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,9-dien-15-yl 3-methylbutanoate
4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.1³,⁷.1²⁰,²⁴.0⁹,¹⁴.0¹³,¹⁸.0²⁸,³⁵]hexatriaconta-1(32),3(36),4,6,13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol
6-(acetyloxy)-2,8,9,10-tetrahydroxy-5'-(4-hydroxyphenyl)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,4,4a,6,7,8,9,10-octahydro-2h-spiro[cyclohexa[f]azulene-5,2'-[1,4]dioxolan]-4-yl benzoate
2-[(1s,5s,6r)-6-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
1β-hydroxy-10-deacetyl-10-glycolylbaccatin i
{"Ingredient_id": "HBIN002398","Ingredient_name": "1\u03b2-hydroxy-10-deacetyl-10-glycolylbaccatin i","Alias": "NA","Ingredient_formula": "C32H44O15","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9962","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}