Exact Mass: 336.175
Exact Mass Matches: 336.175
Found 500 metabolites which its exact mass value is equals to given mass value 336.175
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tabersonine
Tabersonine is a monoterpenoid indole alkaloid with cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an alkaloid ester, a monoterpenoid indole alkaloid, a methyl ester and an organic heteropentacyclic compound. It is a conjugate base of a tabersoninium(1+). Tabersonine is a natural product found in Voacanga schweinfurthii, Tabernaemontana citrifolia, and other organisms with data available. A monoterpenoid indole alkaloid with cytotoxic activity. Annotation level-1 Tabersonine is an indole alkaloid mainly isolated from Catharanthus roseus. Tabersonine disrupts Aβ(1-42) aggregation and ameliorates Aβ aggregate-induced cytotoxicity. Tabersonine has anti-inflammatory activities and acts as a potential therapeutic candidate for the treatment of ALI/ARDS[1]. Tabersonine is an indole alkaloid mainly isolated from Catharanthus roseus. Tabersonine disrupts Aβ(1-42) aggregation and ameliorates Aβ aggregate-induced cytotoxicity. Tabersonine has anti-inflammatory activities and acts as a potential therapeutic candidate for the treatment of ALI/ARDS[1].
Apovincamine
Apovincamine is an alkaloid. Apovincamine is a natural product found in Euglena gracilis with data available. C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
Catharanthine
Catharanthine is an organic heteropentacyclic compound and monoterpenoid indole alkaloid produced by the medicinal plant Catharanthus roseus via strictosidine. It is a bridged compound, an organic heteropentacyclic compound, a methyl ester, a monoterpenoid indole alkaloid, a tertiary amino compound and an alkaloid ester. It is a conjugate base of a catharanthine(1+). Catharanthine is a natural product found in Catharanthus trichophyllus, Tabernaemontana catharinensis, and other organisms with data available. An organic heteropentacyclic compound and monoterpenoid indole alkaloid produced by the medicinal plant Catharanthus roseus via strictosidine. D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids Annotation level-1 Catharanthine is an alkaloid isolated from Catharanthus roseus, inhibits voltage-operated L-type Ca2+ channel, with anti-cancer and blood pressure-lowering activity[1]. Catharanthine is an alkaloid isolated from Catharanthus roseus, inhibits voltage-operated L-type Ca2+ channel, with anti-cancer and blood pressure-lowering activity[1].
S-Japonin
Constituent of leaves of Petasites japonicus. S-Japonin is found in giant butterbur and green vegetables. S-Japonin is found in giant butterbur. S-Japonin is a constituent of leaves of Petasites japonicus
N2-Fructopyranosylarginine
N2-Fructopyranosylarginine is found in tea. N2-Fructopyranosylarginine is a constituent of Korean red ginseng. Constituent of Korean red ginseng. N2-Fructopyranosylarginine is found in tea.
(+)-3,4-Didehydrocoronaridine
2-Propanamine, N,N,2-trimethyl-1-((3-phenyl-2-quinolinyl)thio)-
methyl 6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate
Isobutyric acid [3-[3-methoxy-4-(isobutyryloxy)phenyl]oxiranyl]methyl ester
(+)-miliusane II|8alpha-methoxy-9beta-hydroxy-1beta-(E-2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
2,7-bis(allyloxy)-5-methoxy-3-methyl-9,10-dihydrophenanthrene
11beta-13-dihydroeupatolide-(3-hydroxyisovalerate)
Me ester,Ac -(1(10)E,4alpha,6alpha)-15-Hydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid|Methyl 15-acetoxy-4betaH-germacra-1(10)E,11(13)-trien-6alpha,12-olide-14-oic acid
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
8alpha-acetoxy-1-heptadecene-4,6-diyne-3,9alpha,10beta-triol
bakkenolide-Ua|Deisobutyryl bakkenolide H|deisobutyryl bakkenolide-H
9alpha-acetoxy-1-heptadecene-4,6-diyne-3,8alpha,10beta-triol
3beta,8beta,12beta,14beta-Tetrahydroxyandrost-5-en-17-on
1beta,10alpha;4alpha,5beta-diepoxy-8alpha-isobutoxy-glechomanolide
ent-2,3-diacetoxy-10alpha,15alpha-epoxy-2,3-secoalloaromandendra-4(14)-ene
alpha-methyl-asclepobioside|beta-methyl asclepobioside
Asperrubrol
A methyl ester derived from (2Z,4E,6E,8E,10E,12E)-3-hydroxy-2,12-dimethyl-13-phenyltrideca-2,4,6,8,10,12-hexaenoic acid. Originally isolated from Aspergillus niger.
1beta,3beta-dihydroxy-8alpha-isobutyryloxygermacra-4E,10(14),11(13)-trien-12,6alpha-olide
3beta-(acetyloxy)-11-methoxy-8-oxoeremophila-6,9-dien-12-oic acid|7-(acetyloxy)-3,5,6,7,8,8a-hexahydro-alpha-methoxy-alpha,8,8a-trimethyl-3-oxo-2-naphthaleneacetic acid
(1S,2R,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
1beta,7beta,8alpha,9alpha-tetrahydroxy-20-norisopimara-5(10),15-dien-6-one|smardaesidin G
eudesm-4(15),11(13)-dien-1beta-hydroxy-6alpha-acetoxyl-7alpha,8alpha-epoxy-12-carboxylic acid methyl ester|jatrophaeudesmene C
(+)-Na-methylpericyclivine|N-methylpericyclivine|vochalotine
(E)-3-(3,5-dimethoxy-4-(2R-methylbutyryloxy)phenyl)prop-2-enol acetate|dichrocephol C
eudesm-3,11(13)-dien-1beta-hydroxy-6alpha-acetoxyl-7alpha,8alpha-epoxy-12-carboxylic acid methyl ester|jatrophaeudesmene B
(21S)-11,12-Didehydro-21,22-dihydro-12,24-seco-strychnidin-10-on(?)|(21S)-11,12-didehydro-21,22-dihydro-12,24-seco-strychnidin-10-one(?)
8alpha-acetoxy-4alpha-hydroxy-10alpha-methoxy-guai-6,7,11(13)-diene-6,12-olide
5-Deoxy-3-C-hydroxymethyllyxose,9CI-Benzyl glycoside, 3,3-O-isopropylidene, 2-O-Ac
(4S,4aR,5R,6S,9aR)-6-(acetyloxy)-4a,5,6,7,8,9a-hexahydro-9a-hydroxy-4-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta-acetoxy-8alpha-hydroxy-6beta-methoxyeremophila-7(11),9(10)-dien-12,8beta-olide
2,4-Diamino-2,4,6-trideoxygalactose-Benzyl glycoside, di-N-Ac
(2S,3S)-3,6-dihydro-6-oxo-2-{(1E)-2-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethenyl}-2H-pyran-3-yl (2E)-2-methylbut-2-enoate|(5S,6S,3S,4S,1E,2E)-5,6-dihydro-6-(3,4-isopropylidenedioxy-1-pentenyl)-5-(2-methyl-2-butenoyloxy)-2H-pyran-2-one|(E)-(2S,3S)-6-oxo-2-((E)-2-((4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl)vinyl)-3,6-dihydro-2H-pyran-3-yl 2-methylbut-2-enoate
2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose,9CI,8CI-Di-Et-dithioacetal, 2,6-di-N-Ac
3-Ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-5-<(3-methyl-2-butenyl)oxy>-1(3H)-isobenzofuranon|3-Ethoxy-4-(hydroxymethyl)-7-methoxy-6-methyl-5-[(3-methyl-2-butenyl)oxy]-1(3H)-isobenzofuranon|O5-(3-Methyl-2-butenyl)-3-Ethoxy-5-hydroxy-4-(hydroxymethy1)-7-methoxy-6-methy1-1(3H)-isobenzofuranone
Dehydrosecodine
A member of the class of indoles that is methyl 2-(1H-indol-2-yl)prop-2-enoate in which the indole moiety has been substituted at position 3 by a 2-(5-ethylpyridin-1(2H)-yl)ethyl group. An intermediate in the biosynthesis of aspidosperma and iboga alkaloids.
6-O-Isobutyrylbritannilactone
(3aR)-3-Methylene-4alpha-(isobutyryloxy)-5beta-[(S)-1-methyl-4-hydroxybutyl]-6-methyl-2,3,3aalpha,4,7,7aalpha-hexahydrobenzofuran-2-one is a natural product found in Pentanema britannicum and Inula japonica with data available.
8-(3-ethoxy-2-hydroxy-3-methylbutyl)-5,7-dimethoxycoumarin
8-(3-Ethoxy-2-hydroxy-3-methylbutyl)-5,7-dimethoxycoumarin is a natural product found in Murraya alata with data available.
Vindolinin
Vindolinine is a monoterpenoid indole alkaloid with formula C21H24N2O2, isolated from several plant species. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, a tertiary amino compound, a methyl ester and an organic heteropentacyclic compound. Vindolinine is a natural product found in Catharanthus lanceus, Catharanthus trichophyllus, and other organisms with data available. A monoterpenoid indole alkaloid with formula C21H24N2O2, isolated from several plant species. D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C19H28O5_Propanoic acid, 2-methyl-, (3aR,4S,7aR)-2,3,3a,4,7,7a-hexahydro-5-[(1S)-4-hydroxy-1-methylbutyl]-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester
methyl (1R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate
Butylphthalyl butylglycolate
CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9834; ORIGINAL_PRECURSOR_SCAN_NO 9831 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9872; ORIGINAL_PRECURSOR_SCAN_NO 9867 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9889; ORIGINAL_PRECURSOR_SCAN_NO 9887 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9939; ORIGINAL_PRECURSOR_SCAN_NO 9936 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9940; ORIGINAL_PRECURSOR_SCAN_NO 9937 CONFIDENCE standard compound; INTERNAL_ID 668; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9948; ORIGINAL_PRECURSOR_SCAN_NO 9945
YM-53601
1-Isopropyl-4-(4-isopropylphenyl)-6-methoxy-2(1H)-quinazolinone
N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
(E)-Ethyl 2-(4-Methoxy-3-(3-Methoxypropoxy)benzylidene)-3-Methylbutanoate
6-(1-((TERT-BUTYLDIMETHYLSILYL)OXY)-2-NITROPROPYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE
1-benzhydryl-3-trimethylsilyloxy-azetidine-3-carbonitrile
tert-butyl 4-(2-methyl-4-nitrophenoxy)piperidine-1-carboxylate
N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide
1H-Benz[e]indene-6,7-diaceticacid, dodecahydro-3a,6-dimethyl-3-oxo-, (3aS,5aS,6S,7S,9aR,9bS)-
tert-butyl 5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)BENZO[D]OXAZOL-2-AMINE
TERT-BUTYL 4-(1-AMINO-3-ETHOXY-3-OXOPROPYL)PIPERIDINE-1-CARBOXYLATE HYDROCHLORIDE
N,N-(Methylenedi-p-phenylene)bis(aziridine-1-carboxamide)
Plinabulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
(3-glycidoxypropyl)bis(trimethylsiloxy)methylsilane
benzyl 5-amino-4-[(tert-butoxycarbonyl)amino]-5-oxopentanoate
{(S)-1-[Cyclopropyl-(4-fluoro-benzyl)-carbaMoyl]-ethyl}-carbaMic acid tert-butyl ester
1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol dihydrochloride
1-BOC-6-FLUORO-1,2-DIHYDRO-2-OXOSPIRO[4H-3,1-BENZOXAZINE-4,4-PIPERIDINE]
4-({4-[(4-Methoxypyridin-2-Yl)amino]piperidin-1-Yl}carbonyl)benzonitrile
5-[[4-Methoxy-3-(phenylmethoxy)phenyl]methyl]-2,4-pyrimidinediamine
[5-Fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid
K-80003 is a potent inhibitor of tRXRα-dependent Akt activation and cancer cell growth.
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
(1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
2-{(E)-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl}-3-hydroxy-5-phenylcyclohex-2-en-1-one
1,3-Bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione
10-(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-YL)decanal
2-cyclopropyl-1-[4-(2-methoxyphenoxy)butyl]-1H-benzimidazole
N-(3-Chlorobenzyl)-1-(4-Methylpentanoyl)-L-Prolinamide
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-6-(cyclopentyloxy)benzenolate
[2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
6-benzyl-2-(tert-butyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
validoxylamine A(1+)
An organic cation resulting from the protonation of the amino group of validoxylamine A; major species at pH 7.3.
(1R,3R)-1,3,4,6,7,8-Hexahydro-1,3,9-trimethoxy-7,7-dimethylcyclopenta[g]-2-benzopyran-5-carboxylic acid
1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
N-[(2R,4S)-2-methyl-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
1-(4-luorophenyl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
Senecionine(1+)
An organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3.
3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone
N-(4-methylphenyl)-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]amine
N-[2-(1-cyclohexenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
2-{[(2E)-2-(1-Azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethyl]oxy}-9H-carbazole
(3E,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
cyclopropyl-[(1S,5R)-7-[4-(3-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
N-[(2R,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
2-(dimethylamino)-1-[(1R,5S)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
12-Phenylazobicyclo[8.3.2]pentadeca-1(13),10-diene-14,15-dione
1,2,5,6-Tetraethyl-1,2,5,6-tetramethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne
1-Dodecylglycerone 3-phosphate(2-)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-dodecylglycerone 3-phosphate; major species at pH 7.3.
3,4,5-Trihydroxycinnamic acid decyl ester
3,4,5-Trihydroxycinnamic acid decyl ester is an excellent inhibitor of lipid absorption and accumulation, with anti-obesity properties. 3,4,5-Trihydroxycinnamic acid decyl ester is a pancreatic lipase inhibitor, with an EC50 of approximately 0.9 μM[1].
Kamebakaurin
Kamebakaurin is a natural compound isolated from Rabdosia excisa. Kamebakaurin is a potent inhibitor of NF-κB activation by directly targeting DNA-binding activity of p50[1].
S-15535
S-15535 is a highly selective 5-HT1A receptor ligand. S-15535 is an antagonist of postsynaptic 5-HT1A receptors and an agonist of presynaptic 5-HT1A receptors. S-15535 can be used in research on psychiatric disorders, such as anti-anxiety[1].
3-[5-(1-hydroxy-2,4-dimethyldec-2-en-1-yl)-2-oxo-5h-furan-3-yl]prop-2-enoic acid
1-hydroxy-2,11-dimethyl-7-methylidene-9-(2-methylpropoxy)-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-6-one
5-[(2s,3s,4s,5s)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran
(3r)-n-{[(2s,5s,6r)-6-hydroxy-5-{[(3r)-1-hydroxy-3-isocyanobutylidene]amino}oxan-2-yl]methyl}-3-isocyanobutanimidic acid
10-(5,6-dihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl)-4,8-dimethyldeca-4,8-dienoic acid
5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl 2-methylpropanoate
methyl (1s,9r,16s,18r,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
3-[(1s,2r,3r,6s)-3-ethenyl-2-isothiocyanato-3-methyl-6-(prop-1-en-2-yl)cyclohexyl]-1h-indole
9a-hydroxy-4-methoxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h-naphtho[2,3-b]furan-6-yl acetate
7-(6,8-dihydroxy-3-oxo-1,4-dihydro-2-benzopyran-1-yl)heptyl acetate
3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-4-yl 2-methylpropanoate
(2r,3r,3ar,4s,7s,7ar)-4-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-3-yl 2-methylpropanoate
(3s,7s,8s,11z)-7,8,14,16-tetrahydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-2-benzoxacyclotetradecin-1-one
1-[(1r,12r,13s,18r)-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
(1s,12s,13r,14s,15e)-15-ethylidene-5-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde
(3e,5e,7e,9e,11e,13e,15e,17e,19e)-21-oxodocosa-3,5,7,9,11,13,15,17,19-nonaenoic acid
2-methylpropyl 2-[7-hydroxy-2-(2-hydroxypropyl)-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetate
(2r,5s)-5-amino-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid
8-hydroxy-9-methyl-2-(2-methylbutoxy)-14-methylidene-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-13-one
1,9-dimethyl-4-methylidene-5-oxo-6,13-dioxatricyclo[8.4.0.0³,⁷]tetradecan-14-yl 2-methylpropanoate
4-hydroxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl acetate
[2,5,5,8a-tetramethyl-6-oxo-2-(2-oxopropanoyl)-hexahydronaphthalen-1-yl]acetic acid
methyl (1s,12s,13r,14r,15e)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate
8-hydroxy-4,9-dimethyl-14-methylidene-2-(2-methylpropoxy)-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-13-one
2-{2-[(4s,5s)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-en-2-yl]-1h-indol-3-yl}ethyl acetate
(3r)-5-(dimethoxymethyl)-3-hydroxy-6-methoxy-8,8-dimethyl-3h,4h,7h,9h-indeno[4,5-c]pyran-1-one
(3ar,4s,4ar,7r,7as,8r,9as)-7-methoxy-4a,8-dimethyl-3-methylidene-2,5-dioxo-octahydroazuleno[6,5-b]furan-4-yl acetate
4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraene
(3ar,4s,7ar)-5-[(2s)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl 2-methylpropanoate
(2e)-4-{3,5-dihydroxy-4-[(2r)-2-methylbutanoyl]phenoxy}-2-methylbut-2-en-1-yl acetate
(12s,13r,18r)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaene-17-carbaldehyde
6-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,2-dimethylchromen-8-ol
[(1r,4as,7s,8as)-7-(acetyloxy)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
(1s,2r,4r,6s,8s,9z,11s)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl propanoate
6,8-dihydroxy-5a-methyl-3,9-dimethylidene-4-(2-methylpropoxy)-octahydronaphtho[1,2-b]furan-2-one
methyl 10-[(acetyloxy)methyl]-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,10h,11h,11ah-cyclodeca[b]furan-6-carboxylate
12-methoxy-na-methyl-vellosimine
{"Ingredient_id": "HBIN000899","Ingredient_name": "12-methoxy-na-methyl-vellosimine","Alias": "NA","Ingredient_formula": "C21H24N2O2","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3N(C5=C4C=CC=C5OC)C)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14032","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
{"Ingredient_id": "HBIN013603","Ingredient_name": "8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide","Alias": "NA","Ingredient_formula": "C18H24O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "251","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alstonerinal
{"Ingredient_id": "HBIN015768","Ingredient_name": "alstonerinal","Alias": "NA","Ingredient_formula": "C21H24N2O2","Ingredient_Smile": "CC1=C(C2CC3C4=C(CC(C2CO1)N3C)C5=CC=CC=C5N4C)C=O","Ingredient_weight": "336.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "999","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100983076","DrugBank_id": "NA"}
alstonerinal ii*
{"Ingredient_id": "HBIN015769","Ingredient_name": "alstonerinal ii*","Alias": "NA","Ingredient_formula": "C21H24N2O2","Ingredient_Smile": "CC1=C(C2CC3C4=C(CC(C2CO1)N3C)C5=CC=CC=C5N4C)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1000","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alstonerine
{"Ingredient_id": "HBIN015770","Ingredient_name": "alstonerine","Alias": "NA","Ingredient_formula": "C21H24N2O2","Ingredient_Smile": "CC(=O)C1=COCC2C1CC3C4=C(CC2N3C)C5=CC=CC=C5N4C","Ingredient_weight": "336.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101306910","DrugBank_id": "NA"}