Exact Mass: 534.3196
Exact Mass Matches: 534.3196
Found 177 metabolites which its exact mass value is equals to given mass value 534.3196
,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Neriifolin
Neriifolin is a cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia. It has a role as a cardiotonic drug, a toxin and a neuroprotective agent. It is functionally related to a digitoxigenin. Neriifolin is a natural product found in Cerbera manghas, Cerbera odollam, and other organisms with data available. A cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides [Raw Data] CB071_Neriifolin_pos_40eV_CB000031.txt [Raw Data] CB071_Neriifolin_pos_10eV_CB000031.txt [Raw Data] CB071_Neriifolin_pos_20eV_CB000031.txt [Raw Data] CB071_Neriifolin_pos_50eV_CB000031.txt [Raw Data] CB071_Neriifolin_pos_30eV_CB000031.txt Neriifolin, a CNS-penetrating cardiac glycoside, is an inhibitor of the Na+, K+-ATPase. Neriifolin can target beclin 1, inhibits the formation of LC3-associated phagosomes and ameliorates experimental autoimmune encephalomyelitis (EAE) development. Neriifolin induces cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells[1][2. Neriifolin, a CNS-penetrating cardiac glycoside, is an inhibitor of the Na+, K+-ATPase. Neriifolin can target beclin 1, inhibits the formation of LC3-associated phagosomes and ameliorates experimental autoimmune encephalomyelitis (EAE) development. Neriifolin induces cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells[1][2.
Ganoderic acid L
Ganoderic acid L is found in mushrooms. Ganoderic acid L is a metabolite of Ganoderma lucidum (reishi
Periplocymarin
4-[(3S,5S,10R,13R,14S,17S)-5,14-Dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-YL]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-17-YL]-5H-furan-2-one is a natural product found in Periploca sepium, Periploca forrestii, and other organisms with data available. Periplocymarin, a cardiac glycoside isolated from Periploca sepium and Periploca graeca, is a potential anti-cancer compound[1][2]. Periplocymarin, a cardiac glycoside isolated from Periploca sepium and Periploca graeca, is a potential anti-cancer compound[1][2].
2,16,19,20,25-Pentahydroxycucurbit-5-ene-3,11,22-trione
6alpha,7alpha-epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate
14,16beta-dihydroxy-3beta-(O3-methyl-alpha-L-arabino-2,6-dideoxy-hexopyranosyloxy)-5beta,14beta-card-20(22)-enolide|14,16beta-Dihydroxy-3beta-(O3-methyl-alpha-L-arabino-2,6-didesoxy-hexopyranosyloxy)-5beta,14beta-card-20(22)-enolid|deacetyloleandrin|Desacetyl-oleandrin
3beta-O-(beta-D-diginosyl)-8,14-dihydroxy-5beta,14beta-card-20(22)-enolide
2alpha,3alpha,19alpha,25-tetrahydroxyurs-12-en-23,28-dioic acid
digitoxigenin-6-deoxy-2-O-methyl-beta-D-allopyranoside|epi-reevesioside F
(8E,12E,14E)-7-acetoxy-3,6-dihydroxy-6,10,12,16,20-pentamethyl-21-oxo-18,19-epoxytricosa-8,12,14-trien-11-olide
3beta-O-(beta-D-diginosyl)-14,15alpha-dihydroxy-5alpha-card-20(22)-enolide
2beta,3beta,16alpha,20(R),25-pentahydroxy-9-methyl-19-norlanost-5-en-7,11,22-trione
(1alpha,3beta,20RS,22RS,24RS,25RS)-3,20,22,25-tetrahydroxy-26-oxo-26,28-epoxyergost-5-en-1-yl acetate|perulactone C
3??,7??,20,23?鈥?Tetrahydroxy-11,15-dioxolanosta-8-en-26-oic acid
C30H46O8_(1alpha,2alpha,3beta,5xi,9xi,13xi,14xi,18xi)-1,2,3,22,23,29-Hexahydroxy-13,27-cycloolean-11-en-28-oic acid
C30H46O8_Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxy-, (3beta,5beta,8xi,9xi,17alpha)
3-[(3S,5R,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-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
Ganoderic acid L
L-Leucinamide,N,N-dimethyl-L-phenylalanyl-(3S)-3-hydroxy-L-leucyl-N-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-,cyclic (2®3)-ether
N-Methylalanyl-3-methylvalyl-4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-YL)prolinamide
rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate
A natural product found in Pimelea elongata.
(2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid
(20ξ)-3β,7β,15α,20-Tetrahydroxy-11,23-dioxo-5α-lanost-8-en-26-oic acid
3-(dimethylamino)-N-[[(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]-N-methylpropanamide
3-(dimethylamino)-N-[[(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]-N-methylpropanamide
3-(dimethylamino)-N-[[(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]-N-methylpropanamide
3-(dimethylamino)-N-[[(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]-N-methylpropanamide
3-(dimethylamino)-N-[[(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]-N-methylpropanamide
3-(dimethylamino)-N-[[(10R,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]-N-methylpropanamide
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclopent-2-en-1-one
2-[[3-acetyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Divaricoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,8-dihydroxy-9b-(hydroxymethyl)-3a,6,6,11a-tetramethyl-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
4-[(1s,3as,3br,5ar,7s,9as,9bs,11ar)-7-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
n-[(3s,4s,7s,10e)-5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid
n-[5,8-dihydroxy-3-phenyl-7-(sec-butyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid
n-[5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-4-methylpentanimidic acid
(2r,3r)-n-[(3r,4r,7s,10e)-7-benzyl-5,8-dihydroxy-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-methylpentanimidic acid
4-{2,3a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-4,6-dihydroxy-2-methylheptanoic acid
(2s,3r)-n-[(3s,4s,7s,10e)-7-benzyl-5,8-dihydroxy-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-methylpentanimidic acid
4-{3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl}-5h-furan-2-one
4-[(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
4-hydroxy-3-{2-[4-hydroxy-3-(2-{4-hydroxy-1,5,5-trimethyl-3,6-dioxaspiro[bicyclo[2.2.2]octane-2,2'-oxan]-5'-yl}ethyl)-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene}oxolan-2-one
4-[(1r,2r,3s)-2-{2-[(1r,4ar,6s,8as)-6-{[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-8a-methyl-2-oxo-octahydronaphthalen-1-yl]ethyl}-3-hydroxy-2-methylcyclopentyl]-5h-furan-2-one
4-[(1r,3as,3br,5as,7s,9ar,9bs,11ar)-3a,5a-dihydroxy-7-{[(2r,4r,5s,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
4-[3-hydroxy-2-(2-{6-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-8a-methyl-2-oxo-octahydronaphthalen-1-yl}ethyl)-2-methylcyclopentyl]-5h-furan-2-one
15-oxo-23,24-dihydrocucurbitacin f
{"Ingredient_id": "HBIN001714","Ingredient_name": "15-oxo-23,24-dihydrocucurbitacin f","Alias": "NA","Ingredient_formula": "C30H46O8","Ingredient_Smile": "CC1(C(C(CC2C1=CCC3C2(C(=O)CC4(C3(C(=O)C(C4C(C)(C(=O)CCC(C)(C)O)O)O)C)C)C)O)O)C","Ingredient_weight": "534.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16303","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "455562","DrugBank_id": "NA"}
17α-neriifolin
{"Ingredient_id": "HBIN001989","Ingredient_name": "17\u03b1-neriifolin","Alias": "17 alpha-neriifolin","Ingredient_formula": "C30H46O8","Ingredient_Smile": "CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O","Ingredient_weight": "534.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15486","TCMSP_id": "NA","TCM_ID_id": "19372","PubChem_id": "137705008","DrugBank_id": "NA"}
17β-neriifolin
{"Ingredient_id": "HBIN001998","Ingredient_name": "17\u03b2-neriifolin","Alias": "17 beta-neriifolin","Ingredient_formula": "C30H46O8","Ingredient_Smile": "Not Available","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15485","TCMSP_id": "NA","TCM_ID_id": "19373","PubChem_id": "NA","DrugBank_id": "NA"}
3β,7β,20,23 ξ-tetrahydroxy-11,15-dioxolanosta-8-en-26-oicacid
{"Ingredient_id": "HBIN008117","Ingredient_name": "3\u03b2,7\u03b2,20,23 \u03be-tetrahydroxy-11,15-dioxolanosta-8-en-26-oicacid","Alias": "NA","Ingredient_formula": "C30H46O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21084","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adouetine y'
{"Ingredient_id": "HBIN014737","Ingredient_name": "adouetine y'","Alias": "NA","Ingredient_formula": "C31H42N4O4","Ingredient_Smile": "CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C(C)C","Ingredient_weight": "534.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "650","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101921949","DrugBank_id": "NA"}