Exact Mass: 366.2096
Exact Mass Matches: 366.2096
Found 500 metabolites which its exact mass value is equals to given mass value 366.2096
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
20-Carboxy-leukotriene B4
20-Carboxyleukotriene B4 is an omega-oxidized metabolite of leukotriene B4 (LTB4). Neutrophil microsomes are known to oxidize 20-hydroxy-LTB4 (20-OH-LTB4) to its 20-oxo and 20-carboxy derivatives in the presence of NADPH. This activity has been ascribed to LTB4 omega-hydroxylase (cytochrome P-450LTB omega). Leukotriene B4 release from polymorphonuclear granulocytes of severely burned patients was reduced as compared to healthy donor cells. This decrease is due to an enhanced conversion of LTB4 into the 20-hydroxy- and 20-carboxy-metabolites and further to a decreased LTB4-synthesis. LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. Other specific pathways of leukotriene metabolism include the 12-hydroxydehydrogenase/ 15-oxo-prostaglandin-13-reductase that form a series of conjugated diene metabolites that have been observed to be excreted into human urine. Metabolism of LTC4 occurs by sequential peptide cleavage reactions involving a gamma-glutamyl transpeptidase that forms LTD4 (leukotriene D4) and a membrane-bound dipeptidase that converts LTD4 into LTE4 (leukotriene E4) before w-oxidation. These metabolic transformations of the primary leukotrienes are critical for termination of their biological activity, and defects in expression of participating enzymes may be involved in specific genetic disease. (PMID 17623009, 7633595, 2155225, 3039534)Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways.
6alpha,9-Difluoro-11beta-hydroxyprogesterone
Fortimicin KK1
An amino cyclitol glycoside that is (1R,2S,3S,4S,5S,6R)-2-amino-1,3,4,6-tetrahydroxy-5-(methylamino)cyclohexane in which the hydroxy group at position 1 is glycosylated by a heptapyranosyl residue.
Drospirenone
Drospirenone is a synthetic progestin that is an analog to spironolactone. It is found in a number of birth control formulations. Drospirenone differs from other synthetic progestins in that its pharmacological profile in preclinical studies shows it to be closer to the natural progesterone. As such it has anti-mineralocorticoid properties, counteracts the estrogen-stimulated activity of the renin-angiotensin-aldosterone system, and is not androgenic. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Umbelliprenin
Isolated from Angelica archangelica (angelica). Umbelliprenin is found in many foods, some of which are coriander, fats and oils, herbs and spices, and green vegetables. Umbelliprenin is found in coriander. Umbelliprenin is isolated from Angelica archangelica (angelica
Anhydrocinnzeylanol
Anhydrocinnzeylanol is found in chinese cinnamon. Anhydrocinnzeylanol is isolated from Cinnamomum cassia (Chinese cinnamon). Isolated from Cinnamomum cassia (Chinese cinnamon). Anhydrocinnzeylanol is found in chinese cinnamon and herbs and spices.
Sporotrichiol
Sporotrichiol is produced by Fusarium sporotrichioides. Production by Fusarium sporotrichioides
12-oxo-10,11-dihydro-20-COOH-LTB4
12-oxo-10,11-dihydro-20-COOH-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation. LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 12-oxo-10,11-dihydro-20-COOH-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation. LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737)
12-oxo-20-dihydroxy-leukotriene B4
12-oxo-20-dihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region, and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 12-oxo-20-dihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 7649996, 17623009, 2853166, 6088485)
7-Oxoprostaglandin I2
Gosogliptin
Linaprazan
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
(Z)-7-[(1R,3S,4S,5R)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
Acetamide, 2-((2-hydroxyethyl)thio)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
(1alpha,7alpha,14beta)-1,7,14,18,20-pentahydroxy-ent-kaur-16-en-15-one|1alpha,7alpha,14beta,18,20-pentahydroxy-ent-kaur-16-en-15-one|weisiensic C|weisiensin C
4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
6alpha-hydroxyneopulchellin-4-O-<2-methyl butyrate>
rel-(1S,3R,5R,7Z,9R,12S,13S)-9-hydroperoxy-12-hydroxy-16-methylidene-5,9,13-trimethyl-4,14-dioxatricyclo[11.3.2.0(3,5)]octadec-7-en-15-one|snuladiterpene B
6beta-Hydroxypulchellin 2-O-isovalerate|6beta-hydroxypulchellin-2-O-isovalerate
7-oxo-12alpha,13beta,15-trihydroxyabiet-8(14)-en-18-oic acid
(13R,14R)-3,13,14,19-tetrahydroxy-ent-labda-8 (17),11-dien-16,15-olide
(Z)-4-hydroxy-3-(2-(6-hydroxy-5-(hydroxylmethyl)-5,8a-dimethyloctahydro-1H-spiro[naphthalene-2,2-oxiran]-1-yl)ethylidene)dihydrofuran-2(3H)-one
(3alpha,6beta,7alpha,8alpha,10alpha,15beta)-7,20-epoxykaur-16-ene-3,6,7,14,15-pentol|rabdonervosin G
(1S,7S)-1,7,17-trihydroxy-15-oxo-ent-kauran-19-oic acid|geopyxin F
7alpha,12alpha,14beta,18,20-pentahydroxy-ent-kaur-16-en-15-one|wikstroemioidin T
3alpha,7alpha,11beta,12alpha,14beta-pentahydroxy-ent-kaur-16-en-15-one|wikstroemioidin J
7,8,16,18-Tetrahydroxy-19-serrulatanoic acid|7,8,16,18-tetrahydroxyserrulatan-19-oic acid
3alpha,7alpha,12alpha,14beta,18-pentahydroxy-ent-kaur-16-en-15-one|wikstroemioidin K
(ent-6beta,7alpha)-6,7,9-Trihydroxy-15-oxo-19-kauranoic acid
(Z)-1,18-diisothiocyanooctadec-1-ene|1,2-Dihydro-(Z,Z)-1,18-Diisothiocyanato-1,17-octadecadiene
(1RS,3SR,5SR,8SR,9RS,13RS)-8,9-dihydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.0(3,5)]octadecane-12,15-dione|sinulaparvalide A
7alpha,11beta,12alpha,14beta,20-pentahydroxy-ent-kaur-16-en-15-one|isolushinin J
6,7-seco-16xi,17-dihydroxy-6,7-dioxokaurenoic acid
6-<2-(2-hydroxy-4-methyl-5-isopropylphenyl)-ethyl>-7-methoxy-2,2-dimethylchromene|6-[2-(2-hydroxy-4-methyl-5-isopropylphenyl)-ethyl]-7-methoxy-2,2-dimethylchromene
1beta-hydroxy-3alpha-(2-methylbutyryloxy)arbusculin A|1beta-hydroxy-3alpha-<2-methylbutyryloxy>arbusculin A
16,17-dihydro-16alpha,17-dihydroxy gibberellin A12
Ferulenol
Ferulenol is a natural product found in Ferula communis with data available. Ferulenol, a sesquiterpene prenylated coumarin derivative, specifically inhibits succinate ubiquinone reductase at the level of the ubiquinonecycle. Ferulenol shows good antimycobacterial activity and haemorrhagic action[1][2][3]. Ferulenol, a sesquiterpene prenylated coumarin derivative, specifically inhibits succinate ubiquinone reductase at the level of the ubiquinonecycle. Ferulenol shows good antimycobacterial activity and haemorrhagic action[1][2][3]. Ferulenol, a sesquiterpene prenylated coumarin derivative, specifically inhibits succinate ubiquinone reductase at the level of the ubiquinonecycle. Ferulenol shows good antimycobacterial activity and haemorrhagic action[1][2][3].
Drospirenone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE standard compound; INTERNAL_ID 2808 CONFIDENCE standard compound; INTERNAL_ID 8741
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one
C20H30O6_2(5H)-Furanone, 5-hydroxy-3-[2-(octahydro-2,3-dihydroxy-5,6,8a-trimethylspiro[naphthalene-1(2H),2-oxiran]-5-yl)ethyl]
C20H30O6_2(5H)-Furanone, 5-hydroxy-4-[2-(octahydro-2,3-dihydroxy-5,6,8a-trimethylspiro[naphthalene-1(2H),2-oxiran]-5-yl)ethyl]
Tobramycin 1-N- or 3-N-carbamoyl, ion source fragment
3-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one
4-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one [IIN-based: Match]
4-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one_major
3-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one_major
3-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one_4.1\\%
4-[2-(6,7-dihydroxy-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2-oxirane]-1-yl)ethyl]-2-hydroxy-2H-furan-5-one_minor
Anhydrocinnzeylanol
Sporotrichiol
4-(1-HYDROXY-1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHYL)BENZOIC ACID
2,2-(2,5-Difluoro-1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
N-ETHYL-N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
4-Ethoxyphenyl 4-trans-(4-propylcyclohexyl)benzoate
N-METHYL-N-(2-PYRIDIN-2-YL-ETHYL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
Gosogliptin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
N-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
Acetamide, 2-((2-hydroxyethyl)thio)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
7-((2E)-3,7-Dimethylocta-2,6-dienoxy)-8-(3-methylbut-2-enyl)chromen-2-one
3-[2-(2,3-dihydroxy-5,6,8a-trimethyloctahydro-2H-spiro[naphthalene-1,2-oxiran]-5-yl)ethyl]-5-hydroxyfuran-2(5H)-one
alpha,alpha-Dihydro-3,5,4-trihydroxy-4,5-diisopentenylstilbene
2,4-Bis(3-methyl-2-butenyl)-5-(4-hydroxyphenethyl)resorcinol
1-Tetradecylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as tetradecyl
(1R,2S,3S,4R,8S,9S,12R,13R)-13-hydroxy-13-(hydroxymethyl)-4,8-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
methyl (Z)-2-(3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
methyl (Z)-2-[(3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
(Z)-7-[(1R,3S,4S,5R)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
(6E,8E,10E,14E)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid
(5E)-5-[5-hydroxy-4-[(E)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
5,5-diethyl-1-[oxo(1-piperidinyl)methyl]-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione
2-ethyl-N-[1-[2-(1-piperidinyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide
Methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Sarpagan-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, (16R)-
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
methyl (9S,10S,12S,13E,16S,18S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
(5Z,9S,11R,13E,15S,17Z)-15-hydroperoxy-9,11-epidioxyprosta-5,13,17-trienoic acid
(4-Fluorophenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone
(1R,2aR,8bR)-1-(hydroxymethyl)-N-propan-2-yl-2-(2-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aS,8bS)-1-(hydroxymethyl)-N-propan-2-yl-2-(2-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1S,2aR,8bR)-1-(hydroxymethyl)-N-propan-2-yl-2-(2-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1S,2aS,8bS)-1-(hydroxymethyl)-N-propan-2-yl-2-(2-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
[(2S,3R)-6-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile
(2R,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxyacetyl)azetidine-2-carbonitrile
(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile
(2R,3R,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
(2S,3R,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
(2R,3S,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile
(2S,3S,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinyl]methyl]cyclopentanecarboxamide
1-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]-2-methoxyethanone
2-(4-benzylpiperazin-1-yl)-N-[(E)-[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
methyl (1R,16R,18R,21S)-2-methyl-11-oxo-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
3-[3-(Ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]propanoic acid
methyl (1S,9S,14E,16R)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate
(1R,2R,4R,10R,11R,14S,15R,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5-oxolane]-2,7-dione
(2S,3S)-3-Benzyloxy-4-(tert-butyldimethylsilyloxy)butan-1,2-diol isopropylidene acetal
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-(2-aminoethoxy)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
(5R,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienedioic acid
Methyl 2-(3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
20-hydroxy-20-oxoleukotriene B4
A member of the class of leukotrienes that is leukotriene B4 in which the terminal methyl group has undergone formal oxidation to the corresponding carboxylic acid.
(1s,2s,5s,7r,8r,9s,10s,11r,15s)-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
(1s,2s,5s,7r,8s,9s,10s,11r,15s,18r)-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
(1s,2r,5r,6s,10r,12r,13s,14r)-1,6,14-trihydroxy-13-(hydroxymethyl)-8-isopropyl-2,5-dimethyl-15-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadec-8-en-7-one
(1s,2s,5s,7r,9s,10s,11r,15s,18r)-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
methyl (15e)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate
12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
(3as,6r,10s,11r,11as)-10-hydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-octahydrocyclodeca[b]furan-11-yl (2r)-2-methylbutanoate
(1s,2s,3r,5s,8r,9r,10r)-1,2,5,9,10-pentahydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-13-one
(1s,2r,4ar,8ar)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl (2z)-2-methylbut-2-enoate
(1r,2r,4r,5s,9s,10s,12s,13r,16r)-2,12,16-trihydroxy-5,9-bis(hydroxymethyl)-5-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
(1r,2r,4s,5s,9r,10s,11r,12r,13s,16r)-2,11,12,16-tetrahydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
(3r,5r,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methylidene-1-oxacyclotetradec-12-ene-2,4,7-trione
(1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxirane]-2,4,8-triol
4-{2-[(1s,3as,4r,6as,7r,8s,10as)-1,3a,4-trihydroxy-7,8-dimethyl-octahydro-1h-naphtho[4,4a-c]furan-7-yl]ethyl}-5h-furan-2-one
(1s,2s,3r,5s,7r,8s,9s,10s,11r,15s)-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-3,7,9,10,15-pentol
5,13-dihydroxy-4,8,13-trimethyltetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylic acid
(1r,2s,5s,7s,11s,12r,13s)-2-hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.0⁵,⁷.0¹³,¹⁷]nonadec-16-en-15-one
(1ar,2s,4ar,7r,7ar,7br)-7-hydroxy-1,1,7-trimethyl-4-methylidene-octahydrocyclopropa[e]azulen-2-yl (2e)-3-phenylprop-2-enoate
methyl (1s,12s,13s,14r,15e)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate
4,9a-dihydroxy-3,5a-dimethyl-9-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-6-yl 3-methylbutanoate
(1r,3s,5s,7z,9s,12s,13r)-9-hydroperoxy-12-hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.0³,⁵]octadec-7-en-15-one
[(3ar,4as,5s,7s,7as,8r,9as)-5,7-dihydroxy-8-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4a-yl]methyl 3-methylbutanoate
methyl (1r,9r,15r,16s,19r)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.0¹,⁹.0³,⁸.0⁹,¹⁶.0¹²,¹⁹]icosa-3,5,7-triene-16-carboxylate
(1s,4r,5s,9s,10r,12s)-16-(2-hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-15-ene-5-carboxylic acid
6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl 3-methylbutanoate
4-{1-hydroxy-2-[8-hydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]ethyl}-5h-furan-2-one
(3e,4s)-3-{2-[(1r,2r,4r,4ar,6s,8as)-4,6-dihydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl]ethylidene}-4-hydroxyoxolan-2-one
4-(formyloxy)-2,5,5,8a-tetramethyl-5'-oxo-hexahydro-2h-spiro[naphthalene-1,2'-oxolan]-6-yl acetate
1-[(1s,12s,13r,18r)-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
(1r,2r,4s,6r,9r,10s,11r,12r,13s,16r)-2,6,11,12,16-pentahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
methyl (1s,9s,10r,13r,20s)-5-methoxy-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6,14-tetraene-10-carboxylate
(1s,3as,4s,6r)-7-[(2s,4r)-4-hydroxy-5-oxooxolan-2-yl]-1-(hydroxymethyl)-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2h-inden-4-yl acetate
5-[(1r,6r)-6-[(1e)-2-(1h-indol-5-yl)ethenyl]-3,6-dimethylcyclohex-2-en-1-yl]-1h-indole
1-{6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl}ethanone
11-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,8h,11h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate
(4r,9r,10r,12r,13r,14r)-10,12,13,14-tetrahydroxy-5,5,9-trimethyl-11-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-14-carbaldehyde
methyl 14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.0¹,⁹.0³,⁸.0⁹,¹⁶.0¹²,¹⁹]icosa-3,5,7-triene-16-carboxylate
(3ar,5s,6s,15s,15ar)-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3ah,4h,5h,7h,8h,11h,12h,15h,15ah-cyclotetradeca[b]furan-2-one
(1r,2s,4ar,8ar)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl (2z)-2-methylbut-2-enoate
(2r,4ar,7r,8s,8ar)-8-hydroxy-3',3',4a,8-tetramethyl-3-oxo-hexahydrospiro[naphthalene-2,2'-oxiran]-7-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate
5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3ah,4h,5h,7h,8h,11h,12h,15h,15ah-cyclotetradeca[b]furan-2-one
(3e,4s)-3-{2-[(1r,2s,4r,4ar,6s,8as)-4,6-dihydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl]ethylidene}-4-hydroxyoxolan-2-one
(5s)-4-{2-[(1r,2r,3r,4as,8as)-1,3-dihydroxy-2,5,5,8a-tetramethyl-4-oxo-hexahydronaphthalen-1-yl]ethyl}-5-hydroxy-5h-furan-2-one
2-hydroxy-3-[(6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]chromen-4-one
methyl (2e)-2-[(2r,3r,12br)-3-ethenyl-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
2,8,16-trihydroxy-5,9-bis(hydroxymethyl)-5-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
(1s,12s,13r,18r)-7-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaene-17-carbaldehyde
6-[(1e)-2-[(5r,7r)-5-methyl-7-(2-methylprop-1-en-1-yl)-1h,6h,7h-cyclopenta[f]indol-5-yl]ethenyl]-1h-indole
methyl (1r,9r,14e,15r,16s,19r)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.0¹,⁹.0³,⁸.0⁹,¹⁶.0¹²,¹⁹]icosa-3,5,7-triene-16-carboxylate
8-hydroxy-3',3',4a,8-tetramethyl-3-oxo-hexahydrospiro[naphthalene-2,2'-oxiran]-7-yl 2,3-dimethyloxirane-2-carboxylate
1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl 2,3-dimethyloxirane-2-carboxylate
4-{2-[(1r,3as,4r,6as,7r,8s,10as)-1,3a,4-trihydroxy-7,8-dimethyl-octahydro-1h-naphtho[1,8a-c]furan-7-yl]ethyl}-5h-furan-2-one
(3ar,6s,10r,11s,11ar)-10-hydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-octahydrocyclodeca[b]furan-11-yl (2r)-2-methylbutanoate
methyl (1r,9s,10s,12s,13e)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
(1r,2s,5r,7r,8s,9s,10s,11s,12r,13s)-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,13-tetrol
(1r,2r,4s,5s,6r,9r,10s,12s,13r,16r)-2,6,12,16-tetrahydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
4-{2-[(1r,2s,3r,4r,4ar,8ar)-3,4-dihydroxy-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-5h-furan-2-one
14β-hydroxybufa-3,5,20,22-tetraenolide
{"Ingredient_id": "HBIN001386","Ingredient_name": "14\u03b2-hydroxybufa-3,5,20,22-tetraenolide","Alias": "NA","Ingredient_formula": "C24H30O3","Ingredient_Smile": "CC12CCC=CC1=CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9859","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adenostemmoic acid d
{"Ingredient_id": "HBIN014706","Ingredient_name": "adenostemmoic acid d","Alias": "NA","Ingredient_formula": "C20H30O6","Ingredient_Smile": "CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)O","Ingredient_weight": "366.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24811","TCMSP_id": "NA","TCM_ID_id": "7151","PubChem_id": "23260141","DrugBank_id": "NA"}
α,α'-dihydro-3,5,4'-trihydroxy-4,5'-diisopente-nylstilbene
{"Ingredient_id": "HBIN015349","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,4'-trihydroxy-4,5'-diisopente-nylstilbene","Alias": "NA","Ingredient_formula": "C24H30O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)CCC2=CC(=C(C(=C2)O)CC=C(C)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5728","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alstophyllal
{"Ingredient_id": "HBIN015776","Ingredient_name": "alstophyllal","Alias": "NA","Ingredient_formula": "C22H26N2O3","Ingredient_Smile": "CC1=C(C2CC3C4=C(CC(C2CO1)N3C)C5=C(N4C)C=C(C=C5)OC)C=O","Ingredient_weight": "366.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1005","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730881","DrugBank_id": "NA"}
alstophylline
{"Ingredient_id": "HBIN015777","Ingredient_name": "alstophylline","Alias": "NA","Ingredient_formula": "C22H26N2O3","Ingredient_Smile": "CC(=O)C1=COCC2C1CC3C4=C(CC2N3C)C5=C(N4C)C=C(C=C5)OC","Ingredient_weight": "366.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1006","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100949563","DrugBank_id": "NA"}