Exact Mass: 338.1794
Exact Mass Matches: 338.1794
Found 500 metabolites which its exact mass value is equals to given mass value 338.1794
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
resmethrin
DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10701; ORIGINAL_PRECURSOR_SCAN_NO 10696 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10728; ORIGINAL_PRECURSOR_SCAN_NO 10725 INTERNAL_ID 158; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10714; ORIGINAL_PRECURSOR_SCAN_NO 10710 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10668; ORIGINAL_PRECURSOR_SCAN_NO 10665 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
coronardine
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
Pinolidoxin
Pinolidoxin, also known as lethaloxin, is a member of the class of compounds known as oxocins. Oxocins are compounds containing an oxocin ring, which is a eight-member unsaturated aromatic ring containing one oxygen atom and seven carbon atoms. Pinolidoxin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pinolidoxin can be found in common pea, which makes pinolidoxin a potential biomarker for the consumption of this food product.
beta-Cyclopiazonate
Aspidospermatine
Aspidospermatine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
Epicainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
BIORESMETHRIN
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10702; ORIGINAL_PRECURSOR_SCAN_NO 10700 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10720; ORIGINAL_PRECURSOR_SCAN_NO 10715 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10634; ORIGINAL_PRECURSOR_SCAN_NO 10633 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10687; ORIGINAL_PRECURSOR_SCAN_NO 10684 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10657; ORIGINAL_PRECURSOR_SCAN_NO 10655 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10733; ORIGINAL_PRECURSOR_SCAN_NO 10731
Omega-Carboxy-trinor-leukotriene B4
omega-Carboxy-trinor-leukotriene B4 belongs to the leukotriene family. 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. omega-Carboxy-trinor-leukotriene B4 belongs to the leukotriene family
18-carboxy dinor Leukotriene B4
18-carboxy dinor Leukotriene B4, also known as 18-COOH-19,20-LTB4, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 18-carboxy dinor Leukotriene B4 is considered to be practically insoluble (in water) and acidic
2'-Oxoquinidinone
3'-Carbamoyl-[1,1'-biphenyl]-3-yl cyclohexylcarbamate
URB-597 (KDS-4103) is an orally bioavailable and selective FAAH inhibitor. URB-597 inhibits FAAH activity with an IC50s of approximately 5 nM in rat brain membranes, 0.5 nM in intact rat neurons, 3 nM in human liver microsomes. Antidepressant-like effects. Analgesic activity[1].
O-Demethylencainide
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Picrinine
(8S,9S,10R,11S,13S,14S,17S)-11,17-Dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
Picrinine
Picrinine is a natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. It has a role as a plant metabolite, an antitussive, an anti-asthmatic agent, an analgesic and an anti-inflammatory agent. It is an organic heteropentacyclic compound, a methyl ester, a polycyclic ether, an indole alkaloid and an alkaloid ester. Picrinine is a natural product found in Hunteria zeylanica, Alstonia scholaris, and other organisms with data available. A natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. Picrinine, an akuammiline alkaloid, is isolated from the leaves of Alstonia scholaris. Picrinine exhibits anti-inflammatory activity through inhibition of the 5-lipoxygenase enzyme[1].
(+)-Vincadifformine
An aspidosperma alkaloid that is the methyl ester of 2,3-didehydroaspidospermidine-3-carboxylic acid.
Vincadifformine
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
N-cyclohexyl-2-(2-furylmethyl)-3-oxoisoindoline-1-carboxamide
(-)-17-O-Methylakagerine|17-O-Methylakagerina|17-O-Methylakagerine|7-O-methylakagerine
2-(6-hydroxy-1-oxooctyl)-3,5-dihydroxybenzeneacetic acid ethyl ester|dothiorelone B
1-formyl-17-methoxy-aspidofractinine|6-formyl-7-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|N-Formyl-17-methoxy-aspidofractinin
1-formyl-6-methoxy-aspidofractinine|6-formyl-3-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|Refractidin
2-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]-1,4-benzoquinone|Panicein A
8alpha-acetoxy-13,14,15,16-tetranorlabdan-12-oic acid-18,6alpha-olide
11-hydroxy-cura-2(16),19-dien-17-oic acid methyl ester|Vinervin
5,7-dimethoxy-8-prenylflavan|Di-Me ether-(S)-5,7-Dihydroxy-8-prenylflavan
3-Ethyl-2,19-dioxabicyclo(16.3.1(docosa-3,6,9,18(22),21-pentaen-12-yn-20-one
3-acetyl-4-hydroxy-5-[4-(3-methyl-but-2-enyl)-indol-3-ylmethyl]-1,5-dihydro-pyrrol-2-one|3-acetyl-5-[4-(3-methyl-but-2-enyl)-indol-3-ylmethyl]-pyrrolidine-2,4-dione|Bissecodehydrocyclopiazonic acid|Bissecodehydrocyclopiazonsaeure|DL-beta-Cyclopiazonsaeure
kopsihainanine B|N1-decarbomethoxy chanofruticosinic acid
10-hydroxy-16-de(methoxycarbonyl) pagicerine|rauverine B
1,2-Dihydro-(Z,Z)-1,16-Diisothiocyanato-1,15-hexadecadiene
17-hydroxy-1-methyl-vobasan-3-one|N(a)-Methyl-epi-affinin
2-prenyl-3,5,4-trimethoxystilbene|3,5,4-trimethoxy-2-prenylstilbene|Tri-Me ether-3,4,5-Trihydroxy-2-prenylstilbene
2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]-5-methylcyclohexa-2,5-diene-1,4-dione|Furanoquinone
Me ester-Piptoporic acid|piptoporic acid methyl ester
(-)-dihydroalstonerine|20,21-dihydroalstonerine|alstoserine
3-oxo-17-carboxy-3,18-seco-barbacenic acid|3-Oxo-17-carboxy-3,18-secobarbacenic acid
11-hydroxy-1,16-cyclo-coryn-19-ene-17-carboxylic acid methyl ester|11-Hydroxypleiocarpamin
Coronaridine
(-)-coronaridine is a monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. It has a role as an antileishmanial agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a monoterpenoid indole alkaloid, a methyl ester, an organic heteropentacyclic compound and an alkaloid ester. It is a conjugate base of a (-)-coronaridine(1+). Coronaridine is a natural product found in Voacanga schweinfurthii, Tabernanthe iboga, and other organisms with data available. A monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
ACon1_001209
8-Hydroxy-9,10-diisobutyryloxythymol is a natural product found in Centipeda minima, Arnica montana, and Inula japonica with data available.
C18H26O6_2,4-Hexadienoic acid, (6E)-3,4,5,8,9,10-hexahydro-8,9-dihydroxy-2-oxo-10-propyl-2H-oxecin-3-yl ester, (2E,4E)
C21H26N2O2_Ibogamine-18-carboxylic acid, methyl ester
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
Retuline
A monoterpenoid indole alkaloid with formula C21H26N2O2, isolated from several species of Strychnos.
methyl(2|A,3|A,5|A)-aspidofractinine-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Kopsinine; PRIME Parent Name:Kopsinine; PRIME in-house No.:V0259; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
methyl (4S,19S,1R,20R)-20-methyl-5,15-diazahexacyclo(10.6.1.1(1,4).0(4,12).0(6,11).0(5,19))icosa-6(11),7,9-triene-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Pseudocopsinine; PRIME Parent Name:Pseudocopsinine; PRIME in-house No.:V0356; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
Vinervine
A natural product found in Alstonia spatulata. Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Strychnos alkaloids, Indole alkaloids
URB597
URB-597 (KDS-4103) is an orally bioavailable and selective FAAH inhibitor. URB-597 inhibits FAAH activity with an IC50s of approximately 5 nM in rat brain membranes, 0.5 nM in intact rat neurons, 3 nM in human liver microsomes. Antidepressant-like effects. Analgesic activity[1].
FA 18:5;O4
2-(4-BOC-PIPERAZINYL)-2-(3-FLUORO-PHENYL)ACETIC ACID
6-(3-((tert-Butyldimethylsilyloxy)methyl)-pyrrolidin-1-yl)-2-fluoronicotinaldehyde
7-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINEHYDROCHLORIDE
1h-1,4-diazepine-5-carboxylic acid, hexahydro-1,4-bis(phenylmethyl)-, methyl ester
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide
N-PYRIDIN-3-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
N-(4-METHYL-PYRIDIN-2-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
N-METHYL-N-PYRIDIN-2-YL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
3-BIPHENYL-4-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(5-benzyl-2-furyl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)c yclopropane-1-carboxylate
N-PYRIDIN-2-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
(S)-2-(N-BOC-AMINO)-N-BENZYLOXY-3-HYDROXY-3-METHYLBUTYRAMIDE
18-VINYL-2,3,5,6,8,9,11,12,14,15-DECAHYDROBENZO[B][1,4,7,10,13,16]HEXAOXACYCLOOCTADECINE
2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
1,1-BIS(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHANOL
butyl prop-2-enoate,2-methylprop-2-enamide,prop-2-enenitrile,prop-2-enoic acid
1-[1-(4-Fluorobenzyl)-1H-Benzimidazole-2yl]-N-Methyl-4-piperidineamine
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamide
ethyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
TERT-BUTYL 1H-SPIRO[ISOQUINOLINE-4,4-PIPERIDINE]-2(3H)-CARBOXYLATE HYDROCHLORIDE
(4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-2-fluorophenyl)boronic acid
3-(Methoxycarbonyl)biphenyl-4-boronic acid pinacol ester
1-BOC-5-METHYLSPIRO[INDOLINE-3,4-PIPERIDINE] HYDROCHLORIDE
5-[Bis(2-methyl-2-propanyl)phosphino]-1-(1-naphthyl)-1H-pyrazole
4-(4-Fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole
3-(6-fluoropyridin-3-yl)-2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-4-(hydroxymethyl)-
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
3-[Benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
2-Amino-1-cyclohexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
N-[(2r)-5-(Aminosulfonyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propylpentanamide
resmethrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
2-(17-Methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraen-5-ylidene)ethanol
18-carboxy dinor Leukotriene B4
18-carboxy dinor Leukotriene B4, also known as 18-COOH-19,20-LTB4, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 18-carboxy dinor Leukotriene B4 is considered to be practically insoluble (in water) and acidic
methyl (1S,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
(2S)-5-amino-5-oxo-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
(4E,8E,10E,12E)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
11,17-dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
(-)-Alstolucine F
A natural product found in Alstonia spatulata and Alstonia scholaris.
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide
N-[(4-tert-butylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
Ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide
(2S)-4-methyl-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
4-[4-[2-Hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile
2-(2-allylphenoxy)-N-(2-ethoxybenzylidene)acetohydrazide
1-[(1R,9S,11R,12E,17S)-12-Ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
(2S,3S)-2-(2-{(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoate
2-[3-[2-[5-Ethyl-3,4-dihydropyridine-1(2H)-yl]ethyl]-1H-indol-2-yl]acrylic acid methyl ester
N-[(2R,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2S,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Methyl (1S,15E)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2R,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2R,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
1-Dodecylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as dodecyl
methyl (1S,15E,18R)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
(9R,17S)-9-fluoro-6,11,17-trihydroxy-10,17-dimethyl-2,4,5,6,7,8,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
methyl (15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (3beta,19Z)-12-hydroxy-2,16-didehydrocur-19-en-17-oate
methyl (12S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
methyl (19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
(3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione
N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate
An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
(-)-Vincadifformine
An aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted at position 3 by a methoxycarbonyl group. A natural product found in several species in the Apocynaceae (dogbane) family, including Alstonia spatulata.
18-hydroxy-18-oxo-dinorleukotriene B4
An octadecatetraenedioic acid obtained by oxidative degradation of leukotriene B4, a process that results in the removal of C19 and C20 with concomitant dioxygenation of C18.
(5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one
secodine
A methyl ester that is 1H-indole substituted by a 3-methoxy-3-oxoprop-1-en-2-yl group at position 2 and a 2-(5-ethyl-3,4-dihydropyridin-1(2H)-yl)ethyl groups at position 3. It is a transient intermediate in the synthesis of indole alkaloids such as vindoline and vincadifformine.
1-(2,4-dihydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-5h-pyrrol-3-yl)ethanone
methyl (11s,12z,17r)-12-ethylidene-18-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-2-(3-methylbut-2-en-1-yl)benzene
methyl (1s,11s,12r,17r)-18-ethylidene-12-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
methyl (13z)-13-(2-hydroxyethylidene)-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
(1'r,2'r,3s,7'r,9'r)-6'-acetyl-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one
[(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-tetraen-13-yl]methanol
(1r,9r,10s,12r,13e,16s,17s,18r)-13-ethylidene-4-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-ol
[3-(acetyloxy)-6-(hepta-1,3-dien-1-yl)-4-hydroxy-2-oxocyclohexyl]methyl acetate
10'-hydroxy-2'-(hydroxymethyl)-1',5',7'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
methyl (6r,7r,7as)-5-heptyl-6,7-dihydroxy-7-methyl-2-oxo-7ah-1-benzofuran-6-carboxylate
(1r,4s,12r,13r,21s)-20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6,8,10-triene-4-carboxylic acid
(2r,3r,4s,6s)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoic acid
(3s,6e,8s,9r,10r)-8,9-dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydrooxecin-3-yl (2e,4e)-hexa-2,4-dienoate
1-{3-ethenyl-4-[3-hydroxy-3-(quinolin-4-yl)propyl]piperidin-1-yl}ethanone
methyl (1s,11s,12r,17r,18e)-18-ethylidene-12-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
(1s,12s,13r,16s,17s,18r)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraene-17-carbaldehyde
1-[(1r,9s,11r,12e,17s)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-8-yl]ethanone
2-[(2e,6e)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dien-1-yl]-5-methylcyclohexa-2,5-diene-1,4-dione
2-[3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dien-1-yl]-5-methylcyclohexa-2,5-diene-1,4-dione
7-methoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran
methyl (6s,7s,7ar)-5-heptyl-6,7-dihydroxy-7-methyl-2-oxo-7ah-1-benzofuran-6-carboxylate
3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraene-17-carbaldehyde
methyl (1r,9r,16r,18s,21r)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
2-[(2r,5r)-5-methyl-5-({2-methylpyrido[3,4-b]indol-1-yl}methyl)oxolan-2-yl]propan-2-ol
2-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-2-methylchromen-6-ol
methyl (9r,18r,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
methyl 13-ethylidene-5-hydroxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2h-1-benzopyran
methyl (1s,10s,11s,12z,17s)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.0¹,⁹.0³,⁸.0¹⁴,¹⁷]octadeca-3,5,7-triene-10-carboxylate
methyl (1r,9r,11s,14e,17s)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
methyl 18-methyl-19-oxoicosa-2,5,7,9,11,13,15,17-octaenoate
1-[(9s,10s,11r,12z,17s)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-8-yl]ethanone
[(1r,3r,4r,6s)-3-(acetyloxy)-6-[(1e,3e)-hepta-1,3-dien-1-yl]-4-hydroxy-2-oxocyclohexyl]methyl acetate
methyl (1s,9r,16s,18r,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
1,3-dimethoxy-5-[(1e)-2-(4-methoxyphenyl)ethenyl]-2-(3-methylbut-2-en-1-yl)benzene
(1r,11s,12e,17s)-12-ethylidene-6-hydroxy-5-methoxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
methyl (1s,10r,11s,13e,17s)-13-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.0¹,⁹.0³,⁸.0¹⁴,¹⁷]octadeca-3,5,7-triene-10-carboxylate
methyl (1r,9r,16r,18s,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
alstomaline
{"Ingredient_id": "HBIN015765","Ingredient_name": "alstomaline","Alias": "NA","Ingredient_formula": "C20H22N2O3","Ingredient_Smile": "CC=C1CN2CCC34C2(CCC1C3C(=O)OC)N=C5C4=CC(=O)C=C5","Ingredient_weight": "338.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "996","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730875","DrugBank_id": "NA"}
alstonal
{"Ingredient_id": "HBIN015767","Ingredient_name": "alstonal","Alias": "NA","Ingredient_formula": "C20H22N2O3","Ingredient_Smile": "CC(=O)C1=COCC2C1CC3C4(CC2N3)C5=CC=CC=C5N(C4=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "998","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alstonisine
{"Ingredient_id": "HBIN015774","Ingredient_name": "alstonisine","Alias": "NA","Ingredient_formula": "C20H22N2O3","Ingredient_Smile": "CC(=O)C1=COCC2C1CC3C4(CC2N3)C5=CC=CC=C5N(C4=O)C","Ingredient_weight": "338.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1003","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14191522","DrugBank_id": "NA"}