Exact Mass: 320.2827
Exact Mass Matches: 320.2827
Found 500 metabolites which its exact mass value is equals to given mass value 320.2827,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
12-HETE
12-Hydroxyeicosatetraenoic acid (CAS: 71030-37-0), also known as 12-HETE, is an eicosanoid, a 5-lipoxygenase metabolite of arachidonic acid. 5-Lipoxygenase (LO)-derived leukotrienes are involved in inflammatory glomerular injury. LO product 12-HETE is associated with the pathogenesis of hypertension and may mediate angiotensin II and TGFbeta induced mesangial cell abnormality in diabetic nephropathy. 12-HETE is markedly elevated in the psoriatic lesions. 12-HETE is a vasoconstrictor eicosanoid that contributes to high blood pressure in (renovascular) hypertension and pregnancy-induced hypertension. A significant percentage of patients suffering from a selective increase in plasma LDL cholesterol (type IIa hyperlipoproteinemia) exhibits increased platelet reactivity. This includes enhanced platelet responsiveness against a variety of platelet-stimulating agents ex vivo and enhanced arachidonic acid metabolism associated with increased generation of arachidonic acid metabolites such as 12-HETE, and secretion of platelet-storage products (PMID: 7562532, 12480795, 17361113, 8498970, 1333255, 2119633). 12-HETE is a highly selective ligand used to label mu-opioid receptors in both membranes and tissue sections. The 12-S-HETE analog has been reported to augment tumour cell metastatic potential through activation of protein kinase C. 12-HETE has a diversity of biological actions and is generated by a number of tissues including the renal glomerulus and the vasculature. 12-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid. 12-HETE is a neuromodulator that is synthesized during ischemia. Its neuronal effects include attenuation of calcium influx and glutamate release as well as inhibition of AMPA receptor (AMPA-R) activation. 12-HETE is found to be associated with peroxisomal biogenesis defect and Zellweger syndrome, which are inborn errors of metabolism.
15-HETE
15-HETE is a hydroxyeicosatetraenoic acid. Hydroxyeicosatetraenoic acids (HETEs) are formed by the 5-, 12-, and 15-lipoxygenase (LO) pathways. The 5- and 12-LO products are mainly proinflammatory in the skin whereas the main 15-LO product 15-HETE has antiinflammatory capacities. In vitro, 15-HETE has been shown to inhibit LTB4 formation, 12-HETE formation, and specifically inhibits the neutrophil chemotactic effect of LTB4. The inhibition of LTB4 formation is probably due to modulation of the 5-LO because no changes in PGE2 formation have been determined. In vivo, 15-HETE inhibits LTB4-induced erythema and edema, and reduces LTB4 in the synovial fluid of carragheenan-induced experimental arthritis in dogs. 15-HETE also has some immunomodulatory effects. It inhibits the mixed lymphocyte reaction, induces generation of murine cytotoxic suppressor T cells, and it decreases interferon production by murine lymphoma cells. Furthermore, IL-4 and IL-13 have recently been shown to be potent activators of the 15-LO in mononuclear cells (PMID: 11104340). 15(S)-HETE is found to be associated with Zellweger syndrome, which is an inborn error of metabolism. 15(S)-HETE is a hydroxyeicosatetraenoic acid. Hydroxyeicosatetraenoic acids (HETEs) are formed by the 5-, 12- and 15-lipoxygenase (LO) pathways. 5- and 12-LO products are mainly proinflammatory in the skin whereas the main 15-LO product 15-HETE has antiinflammatory capacities. In vitro 15-HETE has been shown to inhibit LTB4 formation, 12-HETE formation and specifically inhibits the neutrophil chemotactic effect of LTB4. The inhibition of LTB4 formation is probably due to modulation of the 5-LO because no changes in PGE2 formation have been determined. In vivo, 15-HETE inhibits LTB4-induced erythema and edema, and reduces LTB4 in the synovial fluid of carragheenan-induced experimental arthritis in dogs. 15-HETE has also some immunomodulatory effects. It inhibits the mixed lymphocyte reaction, induces generation of murine cytotoxic suppressor T cells, and it decreases interferon production by murine lymphoma cells. Furthermore, IL-4 and IL-13 have recently been shown to be potent activators of the 15-LO in mononuclear cells. (PMID: 11104340) [HMDB] 15(S)-HETE. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=54845-95-3 (retrieved 2024-07-10) (CAS RN: 54845-95-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
5-HETE
5-Hydroxyeicosatetraenoic acid (5-HETE) is an endogenous eicosanoid. 5-HETE is an intermediate in the pathway of leukotriene synthesis. In addition, it is a modulator of tubuloglomerular feedback.; 5-hydroxyeicosatetraenoic acid (5-HETE) is an endogenous eicosanoid. 5-HETE is an intermediate in Arachidonic acid metabolism. It is converted from 5(S)-HPETE via the enzyme glutathione peroxidase (EC 1.11.1.9)and then it is converted to 5-OxoETE. It is also involved in the pathway of leukotriene synthesis. In addition, it is a modulator of tubuloglomerular feedback. 5-HETE is found in corn. 5-hydroxyeicosatetraenoic acid (5-HETE) is an endogenous eicosanoid. 5-HETE is an intermediate in arachidonic acid metabolism. It is converted from 5(S)-HPETE via the enzyme glutathione peroxidase (EC 1.11.1.9)and then converted to 5-OxoETE. It is also involved in the pathway of leukotriene synthesis. In addition, it is a modulator of tubuloglomerular feedback.
9-HETE
9-HETE, which is a product of free radical-mediated arachidonic acid oxidation, is significantly elevated in patients with angiographically defined CAD. (PMID: 17145556). 9-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid. [HMDB] 9-HETE, which is a product of free radical-mediated arachidonic acid oxidation, is significantly elevated in patients with angiographically defined CAD. (PMID: 17145556). 9-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid.
Pregnanediol
Pregnanediol is an endogenous human testosterone metabolite. It can be detected in the urine of adults and newborns in variable concentrations. Pregnanediol is abnormally elevated in patients with cytochrome P450 (P450C17, steroid 17alpha-monooxygenase, EC 1.14.99.9) oxidoreductase deficiency (Antley-Bixler syndrome, PORD, OMIM: 201750). Antley-Bixler syndrome is a multiple congenital malformation syndrome with craniosynostosis, radiohumeral synostosis, femoral bowing, choanal atresia or stenosis, joint contractures, urogenital abnormalities, and often early death. An assay of urinary pregnanediol excretion provides an accurate indication of outcome in threatened miscarriage in 74 - 93\\\% percent of cases. Pregnanediol is one of the most important markers of pregnenolone administration, which can potentially be abused by athletes to maintain an equilibration of the steroidal environment after sex steroids administrations. Patients with recurrent vulvovaginal candidiasis have significantly lower levels of urinary pregnanediol (PMID: 126703, 16608896, 16906539, 1191599, 2905284, 15763596, 10360427, 11159778, 16687200). Pregnanediol excretion is low in women with suspected placental insufficiency and in women with uterine fibroma. Pregnanediol levels can change in endocrine disturbances such as hirsutism or Cushings syndrome, depending on the stage of the disease. Pregnanediol has been tried as a more reliable compound to measure in screening of urinary steroids when suspecting doping, due to its not significant isotopic fractionation that could lead to false positive results in anti-doping testing. 13C-Enrichment caused by a diet change might be a reason of concern in athletes that move around between places and might have a considerable change of diet between competitions. In contrast to the results obtained with the carbon isotopic ratio, the profiling of urinary testosterone/epitestosterone (T/E) ratios is found to be unaffected by a diet change (PMID: 16338181, 5172227, 13636945, 14440289). Pregnanediol is an endogenous human testosterone metabolite. It can be detected in adults and newborns urine in variable concentrations. Pregnanediol is abnormally elevated in patients with cytochrome P450 (P450C17, steroid 17alpha-monooxygenase, EC 1.14.99.9) oxidoreductase deficiency (Antley-Bixler syndrome, PORD, OMIM 201750). Antley-Bixler syndrome is a multiple congenital malformation syndrome with craniosynostosis, radiohumeral synostosis, femoral bowing, choanal atresia or stenosis, joint contractures, urogenital abnormalities and, often, early death. An assay of urinary pregnanediol excretion provides an accurate indication of outcome in threatened abortion in 74 - 93\\\% per cent of cases. Pregnanediol is one of the most important markers of pregnenolone administration, which can potentially be abused by athletes to maintain an equilibration of the steroidal environment after sex steroids administrations. Patients with recurrent vulvovaginal candidiasis have significantly lower levels of urinary pregnanediol. (PMID: 126703, 16608896, 16906539, 1191599, 2905284, 15763596, 10360427, 11159778, 16687200) [HMDB] C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnanediol is the major metabolite of progesterone and can be excreted via urine. Pregnanediol offers an indirect way to measure progesterone levels in vivo[1].
Adipostatin A
Isolated from cereals and other plants. Adipostatin A is found in many foods, some of which are hard wheat, rye, cereals and cereal products, and common wheat. Adipostatin A is found in barley. Adipostatin A is isolated from cereals and other plant 5-Pentadecylresorcinol (Adipostatin A) is a glycerol-3-phosphate dehydrogenase (GPDH) inhibitor with an IC50 of 4.1 μM. Adipostatin A shows good larvicidal activity against Aedes aegypti[1][2]. 5-Pentadecylresorcinol (Adipostatin A) is a glycerol-3-phosphate dehydrogenase (GPDH) inhibitor with an IC50 of 4.1 μM. Adipostatin A shows good larvicidal activity against Aedes aegypti[1][2].
11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol
5alpha-Pregnane-3alpha,20alpha-diol
This compound belongs to the family of Gluco/mineralocorticoids, Progestogins and Derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.
3beta-Hydroxy-4beta-hydroxymethyl-4alpha-methylsteroid
6beta,17-Dimethyl-5alpha-androstane-3beta,17beta-diol
3a,20b-Pregnanediol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone Complex steroid in human breast milk that inhibits hepatic glucuronyl transferase (PMID: 4246186). Complex steroid in human breast milk that inhibits hepatic glucuronyl transferase (4246186) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnanediol is the major metabolite of progesterone and can be excreted via urine. Pregnanediol offers an indirect way to measure progesterone levels in vivo[1].
1-Hydroxy-2,12,15-heneicosatrien-4-one
1-Hydroxy-2,12,15-heneicosatrien-4-one is found in fruits. 1-Hydroxy-2,12,15-heneicosatrien-4-one is a constituent of avocado (Persea americana). Constituent of avocado (Persea americana). 1-Hydroxy-2,12,15-heneicosatrien-4-one is found in fruits.
7a,17-dimethyl-5b-Androstane-3a,17b-diol
7a,17-dimethyl-5b-Androstane-3a,17b-diol is a urinary metabolite of the anabolic androgenic steroid (AAS) bolasterone. Androgenic anabolic steroids are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. The use of anabolic steroids was banned by the International Olympic Committee for the first time at the Olympic Games in Montreal in 1976. Since that time the misuse of anabolic steroids by athletes has been controlled by analysis of urine of the excreted steroids or their metabolites, or both. (PMID: 10932808, 14976846, 15042372, 15231229, 16195040, 16292586, 1663826, 16799097, 16888758, 16923823, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475) [HMDB] 7a,17-dimethyl-5b-Androstane-3a,17b-diol is a urinary metabolite of the anabolic androgenic steroid (AAS) bolasterone. Androgenic anabolic steroids are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. The use of anabolic steroids was banned by the International Olympic Committee for the first time at the Olympic Games in Montreal in 1976. Since that time the misuse of anabolic steroids by athletes has been controlled by analysis of urine of the excreted steroids or their metabolites, or both. (PMID: 10932808, 14976846, 15042372, 15231229, 16195040, 16292586, 1663826, 16799097, 16888758, 16923823, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475).
5beta-Pregnane-3alpha,20alpha-diol
Cyathatriol
A tricyclic diterpenoid with formula C20H32O3. It is produced by the birds nest fungus Cyathus earlei.
(3S)-5-[(4aR,8aS)-2,5,5,8a-Tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid
15,16-dihydroxy-2-oxo-ent-pimar-8(14)-ene|ent-15, 16-Dihydroxy-8(14)-pimaren-2-one
(1S,2E,4S,6R,7E,11E)-4,6-Dihydroxy-2,7,11-cembatrien-10-one
(+)-15-hydroxy-cis-cleroda-3,13-dien-18-oic-acid|(-)-15-Hydroxy-cis-cleroda-3,13-dien-18-oic acid|cis-ent-15-Hydroxycleroda-3,13-dien-18-oic acid
(1S*,11S*)-3,4;7,8-diepoxy-18-hydroxydolabella-12-ene
Labd-8-en-15-methylester|labd-8-en-15-oic acid methyl ester
(1R,2S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (3S,6E)-8-formyl-3,7-dimethyloct-6-en-1-oate|obtusal B
4-Deoxy,4,18-didehydro,15-ketone-4,15,16-Trihydroxy-4,5-seco-5-rosanone|ent-16-hydroxypictan-4(18)-en-5,15-dione
(1R,4R,8R,12R)-3,6,11-triketocembra-15(17)-ene|(8R)-dehydroplexaurolone|dehydroplexaurolone
ent-15,16-epoxy-9alphaH-labda-13(16),14-diene-3beta,8alpha-all-diol|ent-15,16-epoxy-9alphaH-labda-13(16),14-diene-3beta,8alpha-diol
11(S*)-hydroxy-2(R*),12(R*),15(S*),17-diepoxy-(3E,7E)-1(S*)-cembra-3,7-diene
9alpha,13-epoxy-5alpha,8alpha-dihydroxy-labda-6,14-diene
isopimara-7,15-diene-2alpha,3beta,19-triol|virescenol A
(4alpha,5beta,8alpha,9beta,10alpha,12alpha,16beta)-17-hydroxyatisan-18-oic acid|17-hydroxy-ent-atisan-19-oic acid
ent-3beta,7alpha,19-trihydroxypimara-8(14),15-diene
(ent-7alpha,13E)-7-Hydroxy-8(17),13-clerodadien-15-oic acid
17-hydroxy-3,4-seco-ent-atis-4(19)-en-3-oic acid|agallochaol I
7beta-7-Hydroxy-13(17),15-cleistanthadien-18-oic acid
(4S*,9R*,14S*)-4,9,14-trihydroxydolasta-1(15),7-diene
(1S*,2E,4R*,7Z,11S*,12S*)-4,12-dihydroxydolabella-2,7-dien-9-one
14, 15-Epoxy-3-hydroxy-1, 6, 10, 14-phytatetraen-13-one|14,15-epoxy-13-oxo-14,15-dihydrogeranyllinalol
(1R,3R,4aS,6aS,10aR,10bR)-3-ethenyldecahydro-1-hydroxy-3,4a,7,7,10a-pentamethyl-1H-benzo[f]chromen-8(4aH)-one|ent-11alpha-hydroxy-3-oxo-13-epi-manoyl oxide
(13Z)-2beta-hydroxy-5beta,10beta-cis-17alpha,20beta-cleroda-3,13(14)-diene-15-oic acid
3alpha,4alpha-epoxy-5alpha,18-dihydroxysphenoloba-13Z(15),16E-diene
(1R*,3E,7Z,12R*)-20-hydroxycembra-3,7,15-trien-19-oic acid
7alpha,11beta,14alpha-trihydroxypimara-8(9),15-diene|spaeropsidin E|sphaeropsidin E
(5R,9R,10R,13S)-ent-8(14)-pimarene-1-oxo-15R,16-triol
(13R,14R)-ent-8alpha,13,14,15-bisepoxy-13-epi-labdan-3-one|(13R,14S)-ent-8alpha,13;14,15-diepoxy-13-epi-labdan-3-one|14S,15-epoxy-ribenone|excoecarin A|excoecarin B
(13S)-13-hydroxy-19-methoxy-5alphaH-8(17),14-labdadien
6??,18-Dihydroxy-7??,8??-epoxy-9-epi-ent-pimara-15-ene
(1S*,2E,4R*,6Z,11S*,12S*)-4,12-dihydroxydolabella-2,6-dien-9-one
(1alpha,6beta,9alpha)-8(14),15-Isopimaradiene-1,6,9-triol|sandaracopimaradien-1alpha,6beta,9alpha-diol
18-hydroxy-labda-7,13E-dien-15-oic acid|18-hydroxylabda-7,13(E)-dien-15-oic acid
8-Ketone-(5beta,6beta,13alphaH)-3,4-Seco-2-verrucosene-5,6,8-triol
(1S,2E,4S,6R,7E,10R,11R)-10,11-epoxy-2,7,12(20)-cembratriene-4,6-diol
2beta-hydroxy-9-epi-ent-labda-8(17),13(Z)-dien-15-oic acid|2??-Hydroxy-9-epi-ent-labda-8(17),13(Z)-dien-15-oic acid
(12S)-15,16-Epoxy-13(16),14-labdadien-8,12-diol|8alpha,12-dihydroxy-15,16-epoxy-12S-labda-13(16),14-diene
(3beta,16alpha)-3-hydroxyphyllocladan-17-oic acid|(3beta,5alpha,9alpha,10beta,16alpha)-3-hydroxykauran-17-oic acid
(3R)-6,8-dihydroxy-3-undecyl-3,4-dihydroisocoumarin
6beta,7alpha,14beta-trihydroxyisopimara-8,15-diene|curcumrinol A
9beta,13alpha-epoxy-8betaH-ent-labd-14-en-18-oic acid
(4S*,7S*,14S*)-4,7,14-trihydroxydolasta-1(15),8-diene
(1S*,3E,7R*,8R*,11S*,12S*)-7,8-epoxy-12-hydroxydolabella-3-en-9-one
(1S,2E,4S,8R,11S,12E)-8,11-Epoxy-4-hydroxy-2,12-cembradien-6-one
(10-Ketone-1S,2E,4S,6R,7E,10S,11E)-2,7,11-cembratriene-4,6,10-triol
5alpha-hydroxy-7,8-epoxy-7,8-seco-6,7-dehydro-13-epi-manoyloxide
ent-8alpha,9beta-dihydroxylabda-13(16),14-dien-1-one|ent-8??,9??-Dihydroxylabda-13(16),14-dien-1-one
D-HOMO-5-|A-ANDROSTAN-17-|A-METHYL-3-|A, 17A-|A-DIOL
9??,18-Dihydroxy-7??,8??-epoxy-9-epi-ent-pimara-15-ene
(4S,5S,8S,9R,10S,13R)-9,13-epoxy-14-labden-19-ol-6-one
4alpha-hydroxy-methyl-18-(4->3alpha)-abeolabda-8(20),13E-dien-15-oic acid|metasequoic acid C
(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7,17-diol|7,8-seco-7,8-oxacassa-13,15-dien-7,17-diol
(1S,2E,4S,6E,8S,11E)-2,6,11-cembratriene-8-O-methyl-4,8-diol
(1S,2E,4R,6R,7E,11E)-2,7,11-cembratriene-4-O-methyl-4,6-diol
(1S,2E,4S,7E,10E,12S)-4,12-dihydroxy-2,7,10-cembratrien-6-one
9-hydroxylabd-13(14)-en-15,16-olide|9-hydroxylabd-13-en-16,15-olide
12alpha,15beta,18-trihydroxy-ent-kaur-16-ene|wikstroemioidin R
3beta,12alpha,14alpha-trihydroxylisopimara-8(9),15-diene|excoecarin G
1beta,7beta,14alpha-trihydroxy-ent-pimara-8,15-diene|pedinophyllol G
17-hydroxy-13-methyl-labda-7,13Z-diene-15-oic acid
(13beta,14beta)-14-hydroxyabiet-8-en-18-oic acid|(1R,4aS,7S,8R,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-8-hydroxy-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylic acid|isosuaveolic acid
2-Hydroxymethyl-4b,8,8-trimethyl-2,10a-ethenotetradecahydrophenanthrene-3,10-diol
(1S,2E,4S,6E,8S,11R)-2,6,12(20)-cembratriene-4,8,11-triol
rel-sandaracopimara-8(14),15-diene-2alpha,3beta,18-triol
16beta-methoxy-17-hydroxyl-ent-kaurane|ent-16alpha-methoxykauran-17-ol|ent-16??-Methoxy-kauran-17-ol
6??,14??,18-Trihydroxy-9-epi-ent-pimara-7,15-diene
Methyldihydrokolavenat|populifolic acid methyl ester|Populifolin-saeure-methylester
ent-abieta-7,15(17)-diene-3beta,16,18-triol|laxiflorin O
(1S,2E,4S,6R,7E)-4,6-dihydroxy-2,7,12(20)-cembratrien-11-one
8-(3-Methyl-2-butenoyl)-(4beta,5alpha,8alpha)-1(10)-Guaiaene-8,11-diol|<4S,5S,7S,8S>-8-Senecioyloxy-1(10)-guaien-11-ol|[4S,5S,7S,8S]-8-Senecioyloxy-1(10)-guaien-11-ol
(1S,2E,4S,7E,11S,12S)-11,12-epoxy-4-hydroxy-2,7-cembradien-6-one|11,12-Epoxy-4-hydroxy-2,7-cembradien-6-one
1(15),8(19)-trinervitadiene-3alpha,5alpha,18-triol
(1R,2S,5S,7S,9R,10S,13R)-1,2,7-trihydroxypimara-8(14),15-diene
(5SR,8SR,9SR,10RS,13SR)-15xi,16-dihydroxydolabr-4(18)en-3-one|tagalsin U
3-Oxocativinic acid|3alpha-Hydroxy-7-labden-15-oic acid
(2??, 11??)-form-11, 12-Epoxy-7, 17-sacculatadiene-1, 11-diol
13,18-Dihydroxy-8,10,15-lobatrien-17-one|loba-8,10,15-trien-13,18-dihydroxy-17-one
(ent-6alpha,14alpha,15alpha)-14,16-Epoxy-7-isopimarene-6,15-diol
(11alphaH)-3,8-seco-taxa-3E,7E,12(18)-triene-2alpha,6alpha,9beta-triol
16-Aldehyde-(8alpha,12R,13E)-8,12-Epoxy-13-labdene-15,16-diol
(1R,3S,4S,7Z,11Z)-3,15-epoxycembra-7,11-dien-18-oic acid
4-seco-cleroda-6-en-18,19-diol-13-furanoid|tinosporafurandiol
(8alpha,13R)-8,13-Epoxy-2-hydroxy-1,14-labdadien-3-one
(1R,3Z,7E,11Z)-15-hydroxycembra-3,7,11-trien-19-ioc acid
1-(3,4-dihydroxyphenyl)tetradecan-5-one|3-Hydroxy-1-(4-Hydroxyphenyl)-5-tetradecanone
2,3,4,7,8,8a-Hexahydro-8-(5-hydroxy-4-methylpentyl)-6,8-dimethyl-1H-3a,7-methanoazulene-3-carboxylic acid
(1S*,3S*,4R*,7E,11S*,12S*)-3,4-epoxy-12-hydroxydolabella-7-en-9-one
(2E,1S,3aR,4R,6R,7aS)-5-(7a-hydroxy-1,5,5,-trimethyloctahydro-3a,6-ethano-3aH-inden-4-yl)-2-methylpent-2-enoic acid
15,16-epoxy-3alpha,9alpha-dihydroxylabda-13(16),14-diene|otostegindiol
16-hydroxy-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraenoic acid
7-(Hydroxymethyl)-3,4a,7,10a-tetramethyl-3-vinyldodecahydro-9H-benzo[f]chromen-9-one #
Adipostatin A
5-Pentadecylresorcinol (Adipostatin A) is a glycerol-3-phosphate dehydrogenase (GPDH) inhibitor with an IC50 of 4.1 μM. Adipostatin A shows good larvicidal activity against Aedes aegypti[1][2]. 5-Pentadecylresorcinol (Adipostatin A) is a glycerol-3-phosphate dehydrogenase (GPDH) inhibitor with an IC50 of 4.1 μM. Adipostatin A shows good larvicidal activity against Aedes aegypti[1][2].
Toonaciliatin M
8beta-hydroxy-isopimar-15-en-19-oic acid is a diterpenoid. It has a role as a metabolite. 8beta-Hydroxy-isopimar-15-en-19-oic acid is a natural product found in Metasequoia glyptostroboides and Toona ciliata with data available.
Isocupressic_acid
Isocupressic acid is a natural product found in Juniperus osteosperma, Pinus flexilis, and other organisms with data available.
MLS000863608-01!5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid
(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid
5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid
C20H32O3_1-Naphthalenepentanoic acid, 3,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-3-oxo-, (8aS)
C20H32O3_1-Naphthalenepentanoic acid, 1,4,4a,5,6,7,8,8a-octahydro-beta,2,5,5,8a-pentamethyl-4-oxo-, (betaS,1S,8aR)
C20H32O3_[(2R,5R,8aS)-2,5,5,5,8a-Pentamethyl-4,4a,5,5,6,7,8,8a-octahydro-3H,4H-spiro[furan-2,1-naphthalen]-5-yl]acetic acid
C20H32O3_1-Naphthalenecarboxylic acid, decahydro-5-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene
C20H32O3_1-Naphthalenecarboxylic acid, decahydro-5-(3-hydroxy-3-methyl-4-penten-1-yl)-1,4a-dimethyl-6-methylene-, (1R,4aR,5S)
5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid
5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid
(1R,4aR,5S)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
(5S,9R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(3S)-5-[(1S,8aR)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
2-[(2R,8R,8aS)-2,4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5-oxolane]-2-yl]acetic acid
5-[(Z)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
8-HETE
An HETE having a 8-hydroxy group and (5Z)-, (9E)-, (11Z)- and (14Z)-double bonds. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0122.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0122.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0122.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001287.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001287.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001287.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001287.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001287.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001287.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
12-HETE-[d8]
PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ]; CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0088.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001295.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9-HETE
An HETE that is (5Z,7E,11Z,14Z)-icosa-5,7,11,14-tetraenoic acid in which the hydroxy group is located at position 9. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0130.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0130.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0130.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001291.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001291.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001291.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001291.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001291.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001291.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
5-HETE-[d8]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0215.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0215.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0215.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000145.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000145.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000145.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000145.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000145.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000145.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
15-HETE-[d8]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0108.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0108.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0108.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001329.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001329.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001329.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001329.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001329.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001329.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
14(15)-EET-[d11]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0101.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0101.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0101.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001305.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001305.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001305.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001305.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001305.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001305.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
8(9)-EET-[d11]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0118.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0118.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0118.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001309.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001309.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001309.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001309.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001309.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001309.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
11-HETE
A HETE that is (5Z,8Z,12E,14Z)-icosa-5,8,12,14-tetraenoic acid substituted at position 11 by a hydroxy group. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0081.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0081.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0081.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001289.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001289.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001289.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001289.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001289.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001289.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
5(6)-EET-[d11]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0227.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0227.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0227.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000161.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000161.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000161.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000161.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000161.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000161.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
11(12)-EET-[d11]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0077.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0077.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0077.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001307.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001307.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001307.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001307.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001307.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001307.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848900]
5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based: Match]
(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid [IIN-based on: CCMSLIB00000846288]
5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848447]
5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based: Match]
5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid [IIN-based on: CCMSLIB00000848446]
(2Z,6E,10E)-12-hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid [IIN-based: Match]
5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid_major
(5S,9R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_major
5-[(Z)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_major
(1R,4aR,5S)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_major
6-hydroxy-4E,8Z,11Z,14Z-eicosatetraenoic acid
9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid
An HETE having a 9-hydroxy group and (5E)-, (7Z)-, (11Z)- and (14Z)-double bonds.
9R-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid
14-hydroxy-5E,8Z,11Z,15Z-eicosatetraenoic acid
16(S)-HETE
A 16-HETE in which the chiral centre at position 16 has S-configuration.
11(S)-HETE
An 11-HETE in which the chiral centre at position 11 has S-configuration.
15(R)-HETE
An optically active form of 15-HETE having 15(R)-configuration.
12-Hete
A HETE that is icosa-5,8,10,14-tetraenoic acid substituted by a hydroxy group at position 12. It is a metabolite of arachidonic acid. A HETE having a (12S)-hydroxy group and (5Z)-, (8Z)-, (10E)- and (14Z)-double bonds.
Annoglabasin E
8a,13R-Epoxy-14-labden-19-Oic acid
Pregnanediol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnanediol is the major metabolite of progesterone and can be excreted via urine. Pregnanediol offers an indirect way to measure progesterone levels in vivo[1].
Camylofin
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AA - Synthetic anticholinergics, esters with tertiary amino group D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
methyl [1R-(1alpha,4abeta,4balpha,7beta,8abeta,10aalpha)]-tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
(4S,4S)-2,2-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole],99\\%e.e.
(3beta,5beta)-Pregnane-3,20-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5,8,11-Eicosatrienoic acid, methyl ester, (5Z,8Z,11Z)-
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol
Allopregnane-3alpha,20alpha-diol
Cardol
5-Pentadecylresorcinol (Adipostatin A) is a glycerol-3-phosphate dehydrogenase (GPDH) inhibitor with an IC50 of 4.1 μM. Adipostatin A shows good larvicidal activity against Aedes aegypti[1][2]. 5-Pentadecylresorcinol (Adipostatin A) is a glycerol-3-phosphate dehydrogenase (GPDH) inhibitor with an IC50 of 4.1 μM. Adipostatin A shows good larvicidal activity against Aedes aegypti[1][2].
{14-methoxy-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl}methanol
(1r,4r,7r,9r,10s,13r,15s)-5,5,9,14,14-pentamethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-7,15-diol
methyl (2e)-5-[(1s,2s,4ar,8ar)-2,5,5,8a-tetramethyl-octahydronaphthalen-1-yl]-3-methylpent-2-enoate
3β,6β,8α-triacetoxy-4β,5α:1α,10β-diepoxy-germacrane
{"Ingredient_id": "HBIN008100","Ingredient_name": "3\u03b2,6\u03b2,8\u03b1-triacetoxy-4\u03b2,5\u03b1:1\u03b1,10\u03b2-diepoxy-germacrane","Alias": "NA","Ingredient_formula": "C21H36O2","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C3CCC4CCO)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21498","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5alpha-pregnane-3beta,20beta-diol
{"Ingredient_id": "HBIN011434","Ingredient_name": "5alpha-pregnane-3beta,20beta-diol","Alias": "5\u03b1-pregnane-3\u03b2,20\u03b2-diol","Ingredient_formula": "C21H36O2","Ingredient_Smile": "CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O","Ingredient_weight": "320.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31839;17770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101767","DrugBank_id": "NA"}
alkylresorcinol a
{"Ingredient_id": "HBIN015185","Ingredient_name": "alkylresorcinol a","Alias": "NA","Ingredient_formula": "C21H36O2","Ingredient_Smile": "CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "911","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
