Exact Mass: 366.1943
Exact Mass Matches: 366.1943
Found 500 metabolites which its exact mass value is equals to given mass value 366.1943
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Hirsuteine
Corynantheine is a monoterpenoid indole alkaloid. Corynantheine is a natural product found in Corynanthe pachyceras, Uncaria rhynchophylla, and other organisms with data available. Hirsuteine is an alkaloid. Hirsuteine is a natural product found in Uncaria tomentosa, Mitragyna hirsuta, and other organisms with data available. See also: Cats Claw (part of). Annotation level-1 Hirsuteine is an indole alkaloid extracted from Uncaria rhynchophylla. Hirsuteine non-competitively antagonizes nicotine-mediated dopamine release by blocking ion permeation through nicotinic receptor channel complexes[1].
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
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
(1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside
(1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside is found in fats and oils. (1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 2-glucoside is found in fats and oils and herbs and spices.
(1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside
(1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside is found in fats and oils. (1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside is found in fats and oils and herbs and spices.
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside is found in herbs and spices. (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside is found in herbs and spices.
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
Corynantheine
Geissoschizine methyl ether
Gosogliptin
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
Acetamide, 2-((2-hydroxyethyl)thio)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
1-[2-[4-Methoxy-2-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
Geissoschizine_methyl_ether
Geissoschizine methyl ether is a natural product found in Uncaria rhynchophylla and Uncaria sinensis with data available. Geissoschizine methyl ether, a major indole alkaloid found in Uncaria hook, is a major active component of Yokukansan with psychotropic effects. Geissoschizine methyl ether is potent 5-HT1A receptor agonist[1][2]. Geissoschizine methyl ether, a major indole alkaloid found in Uncaria hook, is a major active component of Yokukansan with psychotropic effects. Geissoschizine methyl ether is potent 5-HT1A receptor agonist[1][2]. Geissoschizine methyl ether, a major indole alkaloid found in Uncaria hook, is a major active component of Yokukansan with psychotropic effects. Geissoschizine methyl ether is potent 5-HT1A receptor agonist[1][2].
Voachalotine
A monoterpenoid indole alkaloid with formula C22H26N2O3, isolated from several Tabernaemontana species.
2-{2-benzimidazol-2-yl-1-[(4-methylphenyl)methyl]ethyl}benzimidazole
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.970 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.968 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.963 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.961
Dicarboxyl-2But-A6EO4
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(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
20-hydroxy-19-methylene-ibogamine-18-carboxylic acid methyl ester|Heyneanin
Me glycoside,penta-Me-beta-Pyranose-3-O-beta-D-Xylopyranosyl-D-xylose
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
kopsifoline F|methyl (1R,4R,5R,13S,20S)-8-methoxy-6,16-diazahexacyclo[11.6.1.11.4.05.13.07.12.016.20]henicosa-7(12),8,10,18-tetraene-4-carboxylate
6beta-Hydroxypulchellin 2-O-isovalerate|6beta-hydroxypulchellin-2-O-isovalerate
Hexa-Me-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-xylose
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
(3R,5R)-3-O-beta-D-mannosyl-3,5-dihydrodecanoic acid
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,7beta-epoxy-1-methyl-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester|Lochnerinin|N-methyl-lochnericine|N-methyl-tabersonine alpha-epoxide
(ent-6beta,7alpha)-6,7,9-Trihydroxy-15-oxo-19-kauranoic acid
3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol 7-O-beta-D-glucopyranoside
(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
Methyl glycoside,penta-Me-beta-Pyranose -Xylobiose
7alpha,11beta,12alpha,14beta,20-pentahydroxy-ent-kaur-16-en-15-one|isolushinin J
6,7-seco-16xi,17-dihydroxy-6,7-dioxokaurenoic acid
(19E)-2xi-methoxy-(16alpha)-16,7-dihydro-2H-[1,4]oxazepino[4,5,6:1,2,16]-17-nor-cur-19-en-3-one|Tsilanin|Tsilanine
(2S,6zeta)-3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol 1-O-beta-D-glucopyranoside|(2S,6?卢)-3,7-Dimethyloct-3(10)-ene-1,2,6,7-tetrol 1-O-??-D-glucopyranoside
1beta-hydroxy-3alpha-(2-methylbutyryloxy)arbusculin A|1beta-hydroxy-3alpha-<2-methylbutyryloxy>arbusculin A
16,17-dihydro-16alpha,17-dihydroxy gibberellin A12
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]
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
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
Gly Pro Pro Pro
Pro Gly Pro Pro
Pro Pro Gly Pro
Pro Pro Pro Gly
SKF-96365
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside
Anhydrocinnzeylanol
Sporotrichiol
(1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside
(1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucoside
(S)-ETHYL 2-(((S)-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPIN-3-YL)AMINO)-4-PHENYLBUTANOATE
1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylic acid
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(4-fluorophenyl)- (9CI)
2,2-(2,5-Difluoro-1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
hexanedioic acid,2-(2-hydroxyethoxy)ethanol,oxepan-2-one
4,5-diisocyanatobicyclo[4.1.0]hepta-1(6),2,4-triene,ethane-1,2-diamine,2-methyloxirane,propane-1,2-diol
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(2-fluorophenyl)- (9CI)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(3-fluorophenyl)- (9CI)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-[(4-methylphenyl)methyl]-N-propyl- (9CI)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-methylpropyl)-N-(phenylmethyl)- (9CI)
Gosogliptin
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Liafensine
C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor
Acetamide, 2-((2-hydroxyethyl)thio)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
SKF-96365 free base
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
3-[2-(2,3-dihydroxy-5,6,8a-trimethyloctahydro-2H-spiro[naphthalene-1,2-oxiran]-5-yl)ethyl]-5-hydroxyfuran-2(5H)-one
(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
(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
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
(E)-N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
(5Z,9S,11R,13E,15S,17Z)-15-hydroperoxy-9,11-epidioxyprosta-5,13,17-trienoic acid
4-[3-(1-Naphthalenyl)prop-2-ynyl]-4-(3-phenylprop-2-ynyl)morpholin-4-ium
(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
(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
1-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-1-yl]-2-methoxyethanone
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,4E,6R,7R,17S)-4-Ethylidene-7,17-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
[(E)-2-acetamido-3-hydroxyoct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
(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
(3r,5r)-5-hydroxy-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoic acid
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
1,4a-dimethyl-5-[(3-methyl-1,1-dioxo-2,5-dihydro-1λ⁶-thiophen-2-yl)methyl]-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(2r,3s,5s)-2-{[(6s)-6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
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
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
(1s,4ar,5s,8ar)-1,4a-dimethyl-5-{[(2r)-3-methyl-1,1-dioxo-2,5-dihydro-1λ⁶-thiophen-2-yl]methyl}-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
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
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
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
(1s,2s,4r,8r)-p-menthane-1,2,8,9-tetrol 2-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003228","Ingredient_name": "(1s,2s,4r,8r)-p-menthane-1,2,8,9-tetrol 2-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H30O9","Ingredient_Smile": "CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13730","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol 2-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003230","Ingredient_name": "(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol 2-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H30O9","Ingredient_Smile": "CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13731","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,6 ζ)-3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN006780","Ingredient_name": "(2s,6 \u03b6)-3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H30O9","Ingredient_Smile": "CC(C)(C(CCC(=C)C(CO)OC1C(C(C(C(O1)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15172","TCMID_id": "6387","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"}
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"}