Exact Mass: 422.2797
Exact Mass Matches: 422.2797
Found 500 metabolites which its exact mass value is equals to given mass value 422.2797
,
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
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
DHAP(O-18:0)
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]
7-Methyl-cholic acid
Homocholic acid
Lovastatin acid
Monoketocholic acid
1H-2-Benzopyran-6-carboxamide, 1-(2-(4-(4-(aminocarbonyl)phenyl)-1-piperazinyl)ethyl)-3,4-dihydro-N-methyl-, (1S)-
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-
Magnesium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent.
6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid
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
Me ester-(3alpha,5beta,12alpha,16alpha)-3,12,16-Trihydroxycholan-24-oic acid
(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
Me ester-(3alpha,5alpha,6beta,7beta)-3,6,7-Trihydroxycholan-24-oic acid
4-carbamoyl-2-[(9Z,12Z)-(15,16-epoxy)octadeca-9,12-dienoylamino]butyric acid
15-acetoxy-13-hydroxy-14-propionyloxy-labd-8(17)-ene
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
8beta-hydroxy-18-senecioyloxy-ent-labdan-15-oic acid
(+)-amphidinolide T1|amphidinolide T|amphidinolide T1|amphidinolide-T1
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
mangicol A
A sesterterpenoid natural product found in the fungus Fusarium heterosporum. It exhibits significant antiinflammatory activity in the PMA-induced mouse ear edema model.
16(R)-7alpha,14beta-dihydroxy-17-methoxy-3beta-acetoxy-ent-kaur-12,15-dione|17-methoxydihydropseurata C|pharicunin I
12beta-O-acetyl-15alpha,17beta,28-trihydoxy-3-oxo-20,21,22,23,24,25,26,27-octanordammanran
negundonorin B|rel-(2R,3S)-28-norursa-12,17,19,21-tetraen-2,3-diol
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
4-hydroxy-2,3-dimethoxy-5-(11-methoxy-3,7,11-trimethyldodeca-2,6-dienyl)-6-methylcyclohex-2-en-1-one
3,3-dimethylundecan-2-yl 4-acetyl-6-hydroxy-2,3-dimethoxybenzoate|asiatoate B
15,17-dihydroxy-7beta-succinyloxy-ent-cleroda-3,13E-diene
(5S,8R,9S,10R,13S)-13-O-arabinopyranosyl-3,14-clerodadiene
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
3,7-dihydro-3-methyl-7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-6 H-purin-6-one|Malonganenone J
3alpha-3-Hydroxy-28-nor-11,13(18),17(22)-oleanatrien-21-one|Papyriogenin I
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
7-Acetoxy-4-hydroxy-3-oxo-4(3鈥樏傗垎2)-abeo-13-clerodaen-15-oic acid methyl ester
2,7-Di-Ac-5-Isopimarene-2alpha,3??,7beta,8beta-tetrol|2alpha,7beta-diacetoxy-15-isopimarene-3beta,8beta-diol
8beta-hydroxy-18-angeloyloxy-ent-labdan-15-oic acid
13-hydroxylabda-7,14-diene-13(R)-O-alpha-L-arabinopyranoside
methyl (2R)-6-(2-acetoxytridecyl)-2-hydroxy-4-methoxybenzoate
(2R)-6-(2-acetoxypentadecyl)-5-hydroxy-2-methoxy-1,4-benzoquinone
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\\%
methyl (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,15S,17R)-3,7,15-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl (2R,4R)-4-((3R,5R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypentanoate
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,15R,17R)-3,7,15-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(4R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-6,10,13-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(5R)-5-((3R,5S,7R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)hexanoic acid
Lovastatin acid (Mevinolinic acid)
Ile Pro Pro Pro
Leu Pro Pro Pro
Pro Ile Pro Pro
Pro Leu Pro Pro
Pro Pro Ile Pro
Pro Pro Leu Pro
Pro Pro Pro Ile
Pro Pro Pro Leu
(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
19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol
Methyl Cholate
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Methyl Cholate is methyl ester form of Cholic acid. Cholic acid is one of the major?bile acids?produced by the?liver, where it is synthesized from?cholesterol[1]. Methyl Cholate is methyl ester form of Cholic acid. Cholic acid is one of the major?bile acids?produced by the?liver, where it is synthesized from?cholesterol[1].
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
(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
ETHYL 2-(4-(4-(4-AMINO-7,7-DIMETHYL-7H-PYRIMIDO[4,5-B][1,4]OXAZIN-6-YL)PHENYL)CYCLOHEXYL)ACETATE
S-[11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl] ethanethioate
(S)-N-(4-Dodecylphenylsulfonyl)pyrrolidine-2-carboxamide
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
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3alpha,7beta,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3beta,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
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)-
3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
(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
(E)-7-[3-[[[2-(heptanoylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
[(2S)-3-carboxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
[(2S)-3-carboxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,9E,12E)-octadeca-5,9,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E,12E)-octadeca-8,10,12-trienoyl]oxypropyl]-trimethylazanium
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.
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide
3alpha,7alpha,15alpha-Trihydroxy-5beta-cholane-24-oic acid methyl ester
1-Oleyl-sn-glycero-3-phosphate
A 1-alkyl-sn-glycerol 3-phosphate in which the alkyl group is specified as oleyl.
[3-carboxy-2-[(11E,13E,15E)-octadeca-11,13,15-trienoyl]oxypropyl]-trimethylazanium
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
3alpha,7alpha,15beta-Trihydroxy-5beta-cholane-24-oic acid methyl ester
methyl (4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
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
(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
(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
methyl (2R,4R)-4-((3R,5R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypentanoate
(3-Carboxy-2-octadeca-2,4,6-trienoyloxypropyl)-trimethylazanium
[(1S)-3-carboxy-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
[(1S)-3-carboxy-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl]-trimethylazanium
9-[(E)-5-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl]-7-methylpurin-9-ium-6-amine
3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
(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
3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid methyl ester
[(E)-2-(hexanoylamino)-3-hydroxyoct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
3beta,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,4beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,4beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,7beta,12beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7alpha,12beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7beta,12beta-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7alpha,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3beta,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3alpha,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid Methyl ester
3beta,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3beta,7beta,12alpha-Trihydroxy-5alpha-cholan-24-oic acid Methyl ester
3alpha,7alpha,12beta-Trihydroxy-5alpha-cholan-24-oic acid Methyl 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
(4R)-4-((3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-6,10,13-trimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(1-hexanoyloxy-3-hydroxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-Octadecylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as octadecyl.
(23S)-methyl-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
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
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
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.
LSM(15:1)
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(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
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
(2s,3s,4s)-5-[(2r,3ar,6s,10r)-2-hydroxy-3,6,7a,10-tetramethyl-1h,2h,3h,4h,5h,6h,8h,9h,10ah,10bh-cyclopenta[d]s-indacen-10-yl]-2-methylpentane-1,2,3,4-tetrol
6-amino-7-[(2e,6e)-9-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]-9-methylpurin-9-ium
7-[5-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-3-methylpent-2-en-1-yl]-6-amino-9-methylpurin-9-ium
7-[(2e)-5-[(1s,2s,4ar)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methyl-8h-purin-8-yl
(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
5-(2-hydroxy-2,5,8a-trimethyl-5-{[(3-methylbut-2-enoyl)oxy]methyl}-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,3s,4ar,6ar,6bs,14ar,14br)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-2,3-diol
(2r)-1-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadecan-2-yl acetate
2-[6-(acetyloxy)-4-methylhex-4-en-1-ylidene]-10-hydroxy-6,10-dimethyl-9-oxoundec-5-en-1-yl acetate
(2r,3r,4as,4bs,7s,8ar,9s,10ar)-3-(acetyloxy)-7-ethenyl-2,8a-dihydroxy-1,1,4a,7-tetramethyl-decahydrophenanthren-9-yl acetate
7-{5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl}-6-amino-9-methylpurin-9-ium
(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
(2s,3r,4s,5r)-2-{[(3r)-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}oxane-3,4,5-triol
(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
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"}