Exact Mass: 534.3685
Exact Mass Matches: 534.3685
Found 473 metabolites which its exact mass value is equals to given mass value 534.3685
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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
Pyrohyperforin
Pyrano[7,28-beta]hyperforin is found in alcoholic beverages. Pyrano[7,28-beta]hyperforin is a constituent of Hypericum perforatum (St. Johns Wort)
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol is found in brassicas. (3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol is a constituent of Lepidium sativum (garden cress) Constituent of Lepidium sativum (garden cress). (3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol is found in brassicas.
Oleoyl-estrone
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-1-octadec-9-enoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
DG(8:0/PGJ2/0:0)
DG(8:0/PGJ2/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/PGJ2/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(PGJ2/8:0/0:0)
DG(PGJ2/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(PGJ2/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/PGJ2)
DG(8:0/0:0/PGJ2) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(PGJ2/0:0/8:0)
DG(PGJ2/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
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].
Kalimantacin C
A fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity.
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
(20S)-3??-Acetoxy-12??,16??,25-tetrahydroxydammar-23-ene
cholest-8-ene-3beta,5alpha,6alpha,7alpha,10alpha-pentol 6,7-diacetate
12beta-acetoxy-20(S),24(R)-epoxy-3alpha,17alpha,25-trihydroxydammarane
11alpha-acetoxy-gorgostane-3beta,5alpha,6beta,12alpha-tetraol
3alpha,24beta,25-trihydroxy-21,21-dimethoxy-23-oxo-tirucall-7-ene
12alpha-acetoxy-gorgostane-3beta,5alpha,6beta,11alpha-tetraol
(24S)-methylcholestan-3beta,5alpha,6beta,25-tetraol-3,25-diacetate
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
1-(3,7-dimethylocta-2,6-dienyl)-6,6,10,10-tetramethyl-5-(1-methylethenyl)-11-(2-methylpropanoyl)tetracyclo[7.3.1.13,11.03,7]tetradecane-2,12,14-trione|hypersampsone A
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
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic 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
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based on: CCMSLIB00000847271]
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based: Match]
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(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol
Ganoderic acid L
Pyrohyperforin
Cholest-5-en-3-ol (3b)-, 3-(hydrogen1,2-benzenedicarboxylate)
1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione,butane-1,4-diol
L-LeucinaMide,N-[(phenylMethoxy)carbonyl]-L-leucyl-L-leucyl-N-Methoxy-N-Methyl-
L-Leucinamide,N,N-dimethyl-L-phenylalanyl-(3S)-3-hydroxy-L-leucyl-N-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-,cyclic (2®3)-ether
Methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
A tetracyclic triterpenoid with a seco-oleanane type skeleton isolated from the stem barks of Kalopanax pictus.
N-Methylalanyl-3-methylvalyl-4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-YL)prolinamide
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-1-octadec-9-enoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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
1-[4-(2-Methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol
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
4-(dimethylamino)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
4-(dimethylamino)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
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
4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
4-(dimethylamino)-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]butanamide
1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
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
[(E)-3-hydroxy-2-(octanoylamino)tetradec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(hexanoylamino)-3-hydroxyhexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(heptanoylamino)-3-hydroxypentadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(tridecanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]nonyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(butanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(propanoylamino)nonadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-acetamido-3-hydroxyicos-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(pentanoylamino)heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(nonanoylamino)tridec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(tetradecanoylamino)oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(undecanoylamino)undec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(dodecanoylamino)-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(decanoylamino)-3-hydroxydodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid
[2-Nonanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] nonanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexadecanoate
[1-Heptanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] undecanoate
[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] tridecanoate
[1-Hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] dodecanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] pentadecanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] tetradecanoate
[1-Octanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] decanoate
[3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]octyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (Z)-octadec-9-enoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-henicos-11-enoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-docos-13-enoate
(1-pentanoyloxy-3-phosphonooxypropan-2-yl) (Z)-nonadec-9-enoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (Z)-hexadec-9-enoate
(1-heptanoyloxy-3-phosphonooxypropan-2-yl) (Z)-heptadec-9-enoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (Z)-icos-11-enoate
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (Z)-pentadec-9-enoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (Z)-tetradec-9-enoate
(1-phosphonooxy-3-undecanoyloxypropan-2-yl) (Z)-tridec-9-enoate
2-[hydroxy-[2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (E)-tetradec-9-enoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (E)-tetradec-9-enoate
[1-carboxy-3-[3-[(9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
[3-[3-acetyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
2-[[3-acetyloxy-2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-[(9Z,12Z)-hexadeca-9,12-dienoxy]-2-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[2-acetyloxy-3-[(9Z,12Z)-heptadeca-9,12-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Divaricoside
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
1,2-Dilauroyl-sn-glycero-3-phosphate(2-)
A 1-acyl-2-dodecanoyl-sn-glycerol-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dilauroyl-sn-glycero-3-phosphate; major species at pH 7.3.
n-{2-hydroxy-1-[(2,7,10-trihydroxy-5-methyl-1,6-diazacyclododeca-1,3,6-trien-8-yl)-c-hydroxycarbonimidoyl]propyl}-11-methyldodeca-2,4-dienimidic acid
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
5-[2,4-dimethyl-3-(7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dien-1-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-en-1-yl acetate
6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-[3-hydroxy-5-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]-2-methoxy-3-(3-methylbut-2-en-1-yl)phenol
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
6-(3,7-dimethylocta-2,6-dien-1-yl)-4-[3-hydroxy-5-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]-2-methoxy-3-(3-methylbut-2-en-1-yl)phenol
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
5a,10b-dimethyl-3-{1,6,7,11,11-pentamethyl-2-oxatricyclo[8.4.0.0³,⁷]tetradecan-6-yl}-1h,2h,3h,3ah,4h,5h,10h,10ah-cyclopenta[a]fluorene-6,9-diol
(1r,3ar,5s,5as,6r,7s,9ar,9br,10r,11ar)-7-(acetyloxy)-5,10-dihydroxy-1-[(2s,3r)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-6-yl acetate
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
1-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-2,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate
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
(2z,4e)-n-[(1s,2r)-2-hydroxy-1-{[(3z,5s,8s,10r)-2,7,10-trihydroxy-5-methyl-1,6-diazacyclododeca-1,3,6-trien-8-yl]-c-hydroxycarbonimidoyl}propyl]-11-methyldodeca-2,4-dienimidic acid
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"}
(20s)-3β-acetoxy-12β,16β,25-tetrahydroxy-dammar-23-ene
{"Ingredient_id": "HBIN003490","Ingredient_name": "(20s)-3\u03b2-acetoxy-12\u03b2,16\u03b2,25-tetrahydroxy-dammar-23-ene","Alias": "NA","Ingredient_formula": "C32H54O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "286","TCMSP_id": "NA","TCM_ID_id": "NA","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"}