Exact Mass: 422.2545604
Exact Mass Matches: 422.2545604
Found 500 metabolites which its exact mass value is equals to given mass value 422.2545604
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lovastatin acid
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent A polyketide obtained by hydrolysis of the pyranone ring of lovastatin. C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor
DOCUSATE
C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative > C29699 - Stool Softener D013501 - Surface-Active Agents
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
DHAP(O-18:0)
C21H43O6P (422.27971080000003)
DHAP(O-18:0) is the octadecanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(O-18:0) or 1-Octadecyl-glycerone-3-phosphate is converted from 1-Octadecanoyl-glycerone-3-phosphate via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. (Wikipedia). DHAP(18:0e) is the octadecanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by octadecanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. 1-Octadecyl-glycerone-3-phosphate is an intermediate in Ether lipid metabolism. DHAP(18:0e) or 1-Octadecyl-glycerone-3-phosphate is converted from 1-Octadecanoyl-glycerone-3-phosphate via alkylglycerone phosphate synthase (EC: 2.5.1.26). Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. Ether lipids are called plasmalogens (1-O-1-alkenyl-2-acylglycerophospholipids) if these are glycerol-containing phospholipids with an unsaturated O-(1-alkenyl) (vinyl ether) group at the first position on the glycerol chain. Plasmalogens as well as some 1-O-alkyl lipids are ubiquitous and sometimes major parts of the cell membranes in mammals and anaerobic bacteria. In archaea, ether lipids are the major polar lipids in the cell envelope and their abundance is one of the major characteristics that separate this group of prokaryotes from the bacteria. In these cells, diphytanylglycerolipids or bipolar macrocyclic tetraethers can form covalently linked bilayers. [HMDB]
Lovastatin acid
Monoketocholic acid
1H-2-Benzopyran-6-carboxamide, 1-(2-(4-(4-(aminocarbonyl)phenyl)-1-piperazinyl)ethyl)-3,4-dihydro-N-methyl-, (1S)-
C24H30N4O3 (422.23177899999996)
3-((((-Oxoheptyl)amino)acetyl)amino)methyl-7-oxobicyclo(2.2.1)hept-2-yl-5-heptenoic acid
Cyclohexanecarboxamide, n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl-
Yezoquinolide
A natural product found particularly in Sargassum serratifolium and Botryllus tuberatus.
1,4,2-Trihydroxy-3,5-dioxo-1,4,4-trimethyl-4-prenyl-2,3,3a,4,7,7a-hexahydrospiro[1H-indene-6(5H),1-cyclopentane]-2-carboxylic acid methyl ester
(2R)-1-acetoxy-6-(2-acetoxytridecyl)-2-methoxy-4-hydroxybenzene
(2S,3R,16R)-13beta-kaurane-2,3,16,17-tetrol 2,3-diacetate|(2S,3R,16R)-phyllocladane-2,3,16,17-tetrol 2,3-diacetate
15,16-dihydroxy-2alpha-succinyloxy-labda-3,13-diene
20-epi-isoiguesterinol
A pentacyclic triterpenoid that is a bisnortriterpene isolated from Salacia madagascariensis and exhibits antileishmanial and antileukemic activities.
methyl-4E-9beta-acetoxy-14-O-(2-methylbutyryl)-oxyphylloate|methyl-4E-9beta-acetoxy-14-O-<2-methylbutyryl>-oxyphylloate
4-carbamoyl-2-[(9Z,12Z)-(15,16-epoxy)octadeca-9,12-dienoylamino]butyric acid
6beta,7beta,14beta,18-tetrahydroxy-16beta-acetonylmethyl-7alpha,20-epoxy-ent-kaur-15-one|parvifoline R
7beta,15-dihydroxy-17-succinyloxy-ent-leroda-3,13E-diene
10R,18-diacetoxy-3S,4S;7S,8S-diepoxydolabellane (barbilycopodin)|Barbilycopodin
(1R*,2S*,4R*,5S*)-4-(acetyloxy)-2-[3-(acetyloxy)-1,5-dimethyl-4-hexenyl]-5-methylcyclohexyl (Z)-2-methyl-2-butenoate|(1R*,2S*,4R*,5S*)-4-(acetyloxy)-2-[3-(acetyloxy)-1,5-dimethylhex-4-enyl]-5-methylcyclohexyl (2Z)-2-methylbut-2-enoate|(1R*,3S*,4R*,6S*)-4,9-bis(acetyloxy)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}bisabol-10(11)-ene|(1R*,3S*,4R*,6S*)-9-(Acetoxy)-4-acetoxy-1-[(2Z)-2-methylbut-2-enoyloxy]bisabol-10(11)-ene
16(R)-7alpha,14beta-dihydroxy-17-methoxy-3beta-acetoxy-ent-kaur-12,15-dione|17-methoxydihydropseurata C|pharicunin I
(1R*,3R*,4S*,13R*,14R*,15S*,7E,11E)-13-hydroxy-18-acetoxy-17-methoxy-3,4-epoxycembra-7,11-dien-16,14-olide|durumolide O
12beta-O-acetyl-15alpha,17beta,28-trihydoxy-3-oxo-20,21,22,23,24,25,26,27-octanordammanran
5-hydroxy-7-(3,7,11,15-tetramethyl-2,6,10,11-hexadecatetraenyl)-2(3H)-benzofuranone|5-hydroxy-7-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-2(3H)-benzofuranone
3,3-dimethylundecan-2-yl 4-acetyl-6-hydroxy-2,3-dimethoxybenzoate|asiatoate B
7alpha,14beta-dihydroxy-17alpha-methoxymethyl-18beta-acetoxy-ent-kaur-11,15-dione
15,17-dihydroxy-7beta-succinyloxy-ent-cleroda-3,13E-diene
12alpha-methoxyl-5alpha,7beta-dihydroxy-1alpha-acetoxycass-13(15)-en-16,12-olide|neocaesalpin AB
rel-(4R,4aR,5R,6R,9S,10S,12R,12aR)-3,4,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1,6,10-trimethyl-4-(1-methylethyl)-5,12-epoxybenzocyclodecene-6,9,10-triol 6,9-diacetate|sibogin A
7alpha,14beta-dihydroxy-17beta-methoxymethyl-3beta-acetoxy-ent-kaur-11,15-dione
15,19-diacetoxy-2alpha,7alpha-dihydroxylabda-8(17),(13Z)-diene
(ent-15beta)-Benzoyl-15-Hydroxy-16-kauren-19-oic acid|Benzoyl-15-Hydroxy-16-kauren-19-oic acid
3,19-Di-Ac-(3beta,15xi)-5-Rosene-3,15,16,19-tetrol|3beta,19-diacetoxy jesromotetrol
(1R,2E,4S,5R,6S,7E,10S,11S,12R)-5,6-diacetoxy-10,18-dihydroxy-2,7-dolabelladiene|5,6-Di-Ac-(2E,4betaH,5beta,6beta,7E,10alpha)-2,7-Dolabelladiene-5,6,10,18-tetrol
6beta,7beta,11beta,14beta-tetrahydroxy-16beta-acetonylmethyl-7alpha,20-epoxy-ent-kaur-15-one|parvifoline T
7-Acetoxy-4-hydroxy-3-oxo-4(3鈥樏傗垎2)-abeo-13-clerodaen-15-oic acid methyl ester
methyl 7alpha-acetoxy-1alpha,11alpha,14alpha-trihydroxy-8,15-isopimaradien-18-oate
2,7-Di-Ac-5-Isopimarene-2alpha,3??,7beta,8beta-tetrol|2alpha,7beta-diacetoxy-15-isopimarene-3beta,8beta-diol
11-Ac-(3beta,11alpha,12beta,14beta,17alpha)-3,8,11,12,14-Pentahydroxypregn-5-en-20-one
methyl (2R)-6-(2-acetoxytridecyl)-2-hydroxy-4-methoxybenzoate
(2R)-6-(2-acetoxypentadecyl)-5-hydroxy-2-methoxy-1,4-benzoquinone
15-malonyloxy-7alpha-hydroxy-ent-clerod-3-en-18,19-olide
1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-?,?-dihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, methyl ester_120185
C24H38O6_7-{2,6-Dimethyl-8-[(2-methylbutanoyl)oxy]-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoic acid
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Lovastatin hydroxy acid observed in lovastatin standard
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid_major
7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid_86.6\\%
Lovastatin acid (Mevinolinic acid)
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(5Z,7E)-(1S,3R)-22-(3-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
(5Z,7E)-(1S,3R)-22-(4-hydroxyphenyl)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid
1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27-pentanorvitamin D3
1alpha-hydroxy-22-(4-hydroxyphenyl)-23,24,25,26,27-pentanorvitamin D3
2-hydroxy-5-methoxy-3-(2R-acetoxy-pentadecyl)-1,4-benzoquinone
(-)-Sparteine sulfate pentahydrate
C15H26N2. H2SO4.5H2O (422.22978980000005)
(2R,3R)-2,3-bis[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,4-dioxaspiro[4.5]decane
WAY-100635
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists WAY-100635 is a potent and selective 5-HT1A Receptor antagonist with a pIC50 of 8.87, an apparent pA2 of 9.71. WAY-100635 is a potent and selective 5-hydroxytryptamine 1A (5-HT1A) receptor antagonist with an IC50 value of 0.91 nM and Ki value of 0.39 nM. WAY-100635 has pIC50 values for 5-HT1A and α1-adrenergic receptors of 8.9 and 6.6, respectively. WAY-100635 is also a potent dopamine D4 receptor agonist[1][2][3].
Benzyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
(9,9-Dihexyl-9H-fluorene-2,7-diyl)diboronic acid
C25H36B2O4 (422.27995560000005)
ETHYL 2-(4-(4-(4-AMINO-7,7-DIMETHYL-7H-PYRIMIDO[4,5-B][1,4]OXAZIN-6-YL)PHENYL)CYCLOHEXYL)ACETATE
C24H30N4O3 (422.23177899999996)
S-[11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl] ethanethioate
C21H42O6S (422.27019520000005)
(S)-N-(4-Dodecylphenylsulfonyl)pyrrolidine-2-carboxamide
2-benzofuran-1,3-dione,2,2-bis(hydroxymethyl)butyl 7-methyloctanoate
4-Butoxyphenyl 4-trans-(4-pentylcyclohexyl)benzoate
2-Pyridinecarboxamide, 6-[hexahydro-4-[1-(1-methylethyl)-4-piperidinyl]-1h-1,4-diazepin-1-yl]-n-4-pyridinyl-
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor
Nandrolone cyclotate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
7-[2,6-Dimethyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(2S,3S,4S)-4-amino-2,3-dihydroxy-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}-6-methylheptanamide
Octyl 3-Deoxy-2-O-(6-Deoxy-Alpha-L-Galactopyranosyl)-Beta-D-Xylo-Hexopyranoside
Minabeolide 1
A withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26. Isolated from Paraminabea acronocephala, it exhibits antineoplastic and anti-inflammatory activities.
1H-2-Benzopyran-6-carboxamide, 1-(2-(4-(4-(aminocarbonyl)phenyl)-1-piperazinyl)ethyl)-3,4-dihydro-N-methyl-, (1S)-
C24H30N4O3 (422.23177899999996)
(3E,5E,7E,10R,12R,13E,16R,17R,18S,22S)-22-ethyl-10,12,16,18-tetrahydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraen-2-one
[(1E,3S,4R,10R,11S)-3,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-5-oxo-6-propan-2-yl-4-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl] acetate
(E)-7-[3-[[[2-(heptanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Tritoniopsin C, rel-
A natural product found in Tritoniopsis elegans and Cladiella krempfi.
(-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Sarmentologenin
A steroid lactone that is card-20(22)-enolide substituted by hydroxy groups at positions 3, 5, 11, 14 and 19.
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide
C24H30N4O3 (422.23177899999996)
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamide
1-Oleyl-sn-glycero-3-phosphate
C21H43O6P (422.27971080000003)
A 1-alkyl-sn-glycerol 3-phosphate in which the alkyl group is specified as oleyl.
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
(2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H34N2O4S (422.22391640000006)
N-[(2R,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H34N2O4S (422.22391640000006)
(2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H34N2O4S (422.22391640000006)
N-[(2S,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
[(1S,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
(2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C24H30N4O3 (422.23177899999996)
(2S,3S,3aR,9bR)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C24H30N4O3 (422.23177899999996)
(2-hydroxy-3-phosphonooxypropyl) (Z)-heptadec-9-enoate
[(E)-3-hydroxy-2-(pentanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-acetamido-3-hydroxydodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(butanoylamino)-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-3-hydroxy-2-(propanoylamino)undec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-(hexanoylamino)-3-hydroxyoct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
2-[(E)-5-Ethoxycarbonyl-4-pentenyl]-4-oxo-7,7-(ethylenedioxy)decahydronaphthalene-1-carboxylic acid ethyl ester
methyl (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate
1-Octadecylglycerone 3-phosphate
C21H43O6P (422.27971080000003)
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as octadecyl.
PM-94128
A a monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-[(1S)-1-amino-3-methylbutyl]-8-hydroxy-3,4-dihydro-1H-isochromen-1-one with the carboxy group of 4-amino-2,3-dihydroxy-6-methylheptanoic acid (the 2S,3S,4S stereoisomer). It is isolated from the culture broth of Bacillus sp.PhM-PHD-090 and exhibits potent antitumour activity.
3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid
1-(9E-octadecyl)-sn-glycero-3-phosphate
C21H43O6P (422.27971080000003)
1-(1Z-octadecenyl)-glycero-3-phosphate
C21H43O6P (422.27971080000003)
3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic Acid
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid
2beta,7alpha,12alpha-Trihydroxy-3-oxo-5beta-cholan-24-oic Acid
3alpha,7alpha,11alpha-Trihydroxy-12-oxo-5beta-cholan-24-oic Acid
1-(1Z-octadecenyl)-sn-glycero-3-phosphate
C21H43O6P (422.27971080000003)
A 1-(alk-1-enyl)-sn-glycero-3-phosphate in which the alkenyl group is specified as 1Z-octadecenyl.
1-Heptadecanoyl-sn-glycero-3-phosphate(2-)
A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-heptadecanoyl-sn-glycero-3-phosphate.
TG(21:3)
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(+)-Sparteine (sulfate pentahydrate)
C15H38N2O9S (422.22978980000005)
(+)-sparteine (sulfate pentahydrate) is a ganglionic blocking agent. (+)-Sparteine competitively blocks nicotinic ACh receptor in the neurons[1].
(+)-Sparteine (sulfate pentahydrate)
C15H38N2O9S (422.22978980000005)
(+)-sparteine (sulfate pentahydrate) is a ganglionic blocking agent. (+)-Sparteine competitively blocks nicotinic ACh receptor in the neurons[1].
(3r,4as,5s,6r,6as,8s,10as,10br)-8-(acetyloxy)-3-ethenyl-5-hydroxy-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-6-yl acetate
[2-(acetyloxy)-7-(1,2-dihydroxyethyl)-1,4b,7-trimethyl-3,4,4a,5,6,8,8a,9-octahydro-2h-phenanthren-1-yl]methyl acetate
(1s,2s,3r,5s,6s,8s,9s,10s,11r)-9,10-dihydroxy-6-(methoxymethyl)-12,12-dimethyl-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate
5-[3,6-bis(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
(2s)-2-{[(9z,12z,15z,17r)-1,17-dihydroxyoctadeca-9,12,15-trien-1-ylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid
(2z,5e)-2-[(4z)-6-(acetyloxy)-4-methylhex-4-en-1-ylidene]-10-hydroxy-6,10-dimethyl-9-oxoundec-5-en-1-yl acetate
4-{[(2s,3r,4r,4ar,8ar)-4-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-3-(hydroxymethyl)-4,8,8a-trimethyl-1,2,3,4a,5,6-hexahydronaphthalen-2-yl]oxy}-4-oxobutanoic acid
(1r,2s,4r,5s)-4-(acetyloxy)-2-[(2r,4r)-4-(acetyloxy)-6-methylhept-5-en-2-yl]-5-methylcyclohexyl (2z)-2-methylbut-2-enoate
(3s)-5-[(1r,3r,4ar,6s,8as)-3,6-bis(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
2-(4-{4a,5',5',7a-tetramethyl-6,7-dihydro-5h-spiro[cyclopenta[c]pyran-1,2'-furan]-3-yl}-3-methylbut-2-en-1-yl)-6-methylcyclohexa-2,5-diene-1,4-dione
2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-5,6,7,8a,9,10,12,12a,14,14a-decahydropicene-3,8-dione
(3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(6ar,6br,8ar,11s,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-6a,7,8,9,10,11,12,12a,13,14-decahydropicene-2,6-dione
(2r)-1-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate
3-{[(3s)-5-[(6ar,7r,8s,9r,10as)-9-hydroxy-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-3-methylpentyl]oxy}-3-oxopropanoic acid
2-[6-(acetyloxy)-4-methylhex-4-en-1-ylidene]-10-hydroxy-6,10-dimethyl-9-oxoundec-5-en-1-yl acetate
(2r,3s,3ar,5r,6s,7as)-5,7a-dimethoxy-3-methyl-3a-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-hexahydro-1-benzofuran-6-ol
(2r,3r,4as,4bs,7s,8ar,9s,10ar)-3-(acetyloxy)-7-ethenyl-2,8a-dihydroxy-1,1,4a,7-tetramethyl-decahydrophenanthren-9-yl acetate
6-hydroxy-9-isopropoxy-6,10-dimethyl-3-methylidene-2,7-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylbut-2-enoate
(1s,3s,3ar,4r,5s,7ar)-1,3,4,5,7-pentaethyl-2-oxo-5-[(1e)-2-phenylethenyl]-1,3,3a,7a-tetrahydroindene-4-carboxylic acid
2,3-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-6a,7,8,9,12,12a,13,14-octahydro-6h-picen-5-one
2-[(2e,6e)-3,7-dimethyl-10-[(3z,6r)-2-oxo-6-(prop-1-en-2-yl)oxan-3-ylidene]deca-2,6-dien-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
(1r,3ar,6r,7r,8r,12s,12as)-8-(acetyloxy)-12-hydroxy-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-1h,2h,3h,6h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-7-yl acetate
(1r,4s,5r,9s,10s,13r,15s)-15-(benzoyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
2',4'b,6,7,8',8',10'a-heptamethyl-4'a,8'a,9',10'-tetrahydro-3h,4'h-spiro[furo[3,2-c]pyran-2,1'-phenanthrene]-4,7'-dione
1,7,11,14-tetrahydroxy-8,15-isopimaradien-18-oic acid; (1α,7α,11α,14α)-form,7-ac,me ester
{"Ingredient_id": "HBIN001966","Ingredient_name": "1,7,11,14-tetrahydroxy-8,15-isopimaradien-18-oic acid; (1\u03b1,7\u03b1,11\u03b1,14\u03b1)-form,7-ac,me ester","Alias": "NA","Ingredient_formula": "C23H34O7","Ingredient_Smile": "NA","Ingredient_weight": "422.51","OB_score": "NA","CAS_id": "263873-68-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9481","PubChem_id": "NA","DrugBank_id": "NA"}
7-acetoxy-4-hydroxy-3-oxo-4(3→2)-abeo-13-clerodaen-15-oicacid methyl ester
{"Ingredient_id": "HBIN013018","Ingredient_name": "7-acetoxy-4-hydroxy-3-oxo-4(3\u21922)-abeo-13-clerodaen-15-oicacid methyl ester","Alias": "NA","Ingredient_formula": "C24H38O6","Ingredient_Smile": "CC1C(CC2(C(C1(C)CCC(=CC(=O)OC)C)CC(C2(C)O)C(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}