Exact Mass: 352.1606
Exact Mass Matches: 352.1606
Found 500 metabolites which its exact mass value is equals to given mass value 352.1606
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Palmatine
Annotation level-1 Palmatine is a berberine alkaloid and an organic heterotetracyclic compound. It has a role as a plant metabolite. Palmatine is a natural product found in Coptis chinensis var. brevisepala, Thalictrum petaloideum, and other organisms with data available. See also: Berberis aristata stem (part of). KEIO_ID P071; [MS2] KO009210 KEIO_ID P071
Ajmalicine
Ajmalicine is a monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from several Rauvolfia and Catharanthus species. It is a selective alpha1-adrenoceptor antagonist used for the treatment of high blood pressure. It has a role as an antihypertensive agent, an alpha-adrenergic antagonist and a vasodilator agent. It is a monoterpenoid indole alkaloid, a methyl ester and an organic heteropentacyclic compound. It is a conjugate base of an ajmalicine(1+). Ajmalicine is a natural product found in Crossosoma bigelovii, Rauvolfia yunnanensis, and other organisms with data available. A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from several Rauvolfia and Catharanthus species. It is a selective alpha1-adrenoceptor antagonist used for the treatment of high blood pressure. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents INTERNAL_ID 2326; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2326 [Raw Data] CB001_Ajmalicine_pos_40eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_10eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_50eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_20eV_CB000004.txt [Raw Data] CB001_Ajmalicine_pos_30eV_CB000004.txt Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2].
Rhazin
Akuammidine is a natural product found in Aspidosperma quebracho-blanco, Tabernaemontana citrifolia, and other organisms with data available.
Vobasine
An indole alkaloid that is vobasan in which the bridgehead methyl group is substituted by a methoxycarbonyl group and an additional oxo substituent is present in the 3-position.
Lochnericine
An Aspidosperma alkaloid with molecular formula C21H24N2O3 found in the roots of Madagascar periwinkle (Catharanthus roseus, formerly known as Vinca rosea).
1,2-dihydrovomilenine
An indole alkaloid obtained by selective hydrogenation of the 1,2-position of vomilenine.
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime
17beta-Estradiol 3-phosphate
Raucaffrinoline
An indole alkaloid having a ajmalan-type skeleton and characterised by a 17alpha-acetoxy group, a 21beta-methyl group, loss of the 1-methyl group with associated unsaturation at N(1)=C(2), and a 20alpha-hydroxymethyl group in place of the 20beta-ethyl side-chain.
(3R)-3-hydroxy-1,2-didehydro-2,3-dihydrotabersonine
Tetrahydroalstonine
Annotation level-1 D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CASMI2013 Challenge_14 MS2 data
Quebrachidine
Quebrachidine is an alkaloid from Aspidosperma quebracho-blanco (quebracho D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
Coriandrone D
Constituent of Coriandrum sativum (coriander) (Umbelliferae). Coriandrone D is found in coriander and herbs and spices. Coriandrone D is found in coriander. Coriandrone D is a constituent of Coriandrum sativum (coriander) (Umbelliferae)
(+)-Quebrachidine
(+)-Quebrachidine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
Ajmalicine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine
Lamuran
Tetrahydroalstonine is a heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. It has a role as a plant metabolite. It is a yohimban alkaloid, an organic heteropentacyclic compound and a methyl ester. It is a conjugate base of a tetrahydroalstonine(1+). Tetrahydroalstonine is a natural product found in Ochrosia elliptica, Tabernanthe iboga, and other organisms with data available. See also: Cats Claw (part of). A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Methyl 8-oxo-2,3-didehydroaspidospermidine-3-carboxylate
7-Methoxy-8-(3-methoxy-3-methyl-1-butenyl)flavanone
Protostrychnine
A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from Strychnos icaja and Strychnos nux-vomica.
4-O-Methylbavachalcone
A member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5, a hydroxy group at position 2 and methoxy groups at positions 4 and 4 respectively.
Ovalichalcone
9-Tigloyl,2-Me ether,10-Ac-p-Mentha-1,3,5-triene-2,5,8,9,10-pentol
2,2-Dimethyl-4,6-bis(acetoxymethyl)-5-(2-chloroethyl)indan
(2S,3S)-Phenylacetylpterosin C|Phenylacetylpterosin C|Phenylactylpterosin C
10-oxo-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester|Ervinidin|Ervinidinin
ethyl 5-acetoxy-4-(4-acetoxy-3-methoxyphenyl)pentanoate
1alpha-acetoxy-11-hydroxy-2,8-dioxo-eudesman-3-en-12-oic acid methyl ester
1-oxoacetyl-cur-19-en-17-ol cyclic hemiacetal|11-hydroxy-12-oxa-12,23-seco-12a-homo-24-nor-strychnidin-10-one|15-ethylidene-10-hydroxy-2,3,12a,13,14,14a-hexahydro-12H,12bH-1,13-ethano-[1,4]oxazepino[4,5,6-lm]pyrrolo[2,3-d]carbazol-9-one|25-nor-tsilanine|O-Demethyltsilanin
8-C-methyl-9-O-methylteretifolione B|Me ether-2-Methylteretifolione B
2-Hydroxy-4,6-dimethoxy-3-prenylchalcone|Ovalichalcone
6,7-Dehydro-8-oxokopsinin|8-oxo-aspidofractinine-3-carboxylic acid methyl ester
1alpha-hydroxy-6beta-isobutyroxy-9-oxo-10beta-H-furanoeremophilane
(1alpha,3alpha,4beta,9beta)-8beta-methoxy-9alpha-hydroxy-15-acetyl-1H-lindan-4,7(11)-dien-12,8alpha-olide|chlorojapolide E
(17alpha)-17-hydroxy-Delta14-kopsinine|17-alpha-hydroxy-Delta14,15-kopsinine|17-Hydroxy-Delta14,15-kopsinine|17alpha-hydroxy-Delta14,15-kopsinine
19(E)-9,18-didemethoxygardneramine
A natural product found in Gardneria ovata.
1alpha-acetoxy-7-oxo-14-methylvoucapane-5(6),8(14),9(11)-diene|caesalpin D
(E)-3-chloro-2,9-dihydroxyheptadeca-10,16-diene-4,6-diynyl acetate|asterynes A
N-(4-(2-(4-hydroxyphenyl)acetamido)butyl)cinnamamide|perviridamide
(15beta,16E,17b,20a)-16-ethylidene-17-hydroxy-20-methyl-18-oxayohimban-21-one|Latifoliamide B
(Z)-methyl 2-((4R,4aS,5S,5aR,6aS,6bS)-4-acetoxy-5-(hydroxymethyl)-5,6b-dimethyl-2-oxohexahydro-2H-cyclopropa[4,5]cyclopenta[1,2-b]pyran-3(6bH)-ylidene)propanoate|linderolide M
(E)-4-hydroxy-2-(hydroxymethyl)but-2-enenitrile 4-O-beta-D-glucopyranoside 6?-O-(2?S,3?R)-2?-ethyl-2?,3?-dihydroxybutyrate|microtropin E
2,5alpha-epoxy-1-methyl-(2alpha)-1,2-dihydro-akuammilan-17-oic acid methyl ester|Ervincin|N-methyl-picrinine
16-(hydroxymethyl)pleiocarpamine|16-Hydroxymethylpleiocarpamine
(2S)-4,4-dimethoxy-ongokein|(2S)-5-hydroxy-2-(1-hydroxy-4,4-dimethoxycyclohexyl)-7-methoxychroman-4-one
tert-Butyl glycoside-alpha-Pyranose-2-O-alpha-Rhamnopyranosyl-L-arabinose
3-acetoxy-2-hydroxy-2-(2-hydroxy-4-methyl-5-methoxyphenyl)propyl tiglate
Des-N-(methoxycarbonyl)chanofruticosin-methylester
(15alpha,16R,19E)-10-methoxy-17,22-epoxyvobasan-3-one|10-methoxy-16-de(methoxycarbonyl)pagicerine
17-acetoxy-21-methyl-18-nor-sarpagan-19-al|O-Acetyl-preperakin
(Z)-Akuammidine
1ST169511
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
C22H24O4_1,2-Cyclohexanediol, 3,6-diphenyl-, diacetate
C18H24O7_(3aR,4S,5aR,6R,9aS,9bS)-6-Hydroxy-5a-methyl-3-methylene-2,9-dioxododecahydronaphtho[1,2-b]furan-4-yl 3-hydroxy-2-methylpropanoate
C21H24N2O3_(1S,8R,16S,17R)-11,12-Dimethoxy-5,15-diazahexacyclo[13.4.2.0~1,16~.0~5,16~.0~8,17~.0~9,14~]henicosa-2,9,11,13-tetraen-21-one
(1S,8R,16S,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.0¹,¹⁶.0⁵,¹⁶.0⁸,¹⁷.0⁹,¹⁴]henicosa-2,9,11,13-tetraen-21-one
akuammigine
A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from Vinca sardoa and Uncaria rhynchophylla. D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
raubasine
Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2]. Ajmalicine (Raubasine) is a potent adrenolytic agent which preferentially blocks α1-adrenoceptor. Ajmalicine is an reversible but non-competitive nicotine receptor full inhibitor, with an IC50 of 72.3 μM. Ajmalicine also can be used as anti-hypertensive, and serpentine, with sedative activity[1][2].
Quebrachidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
Palmatin
Origin: Plant; Formula(Parent): C21H22NO4; Bottle Name:Palmatine chloride; PRIME Parent Name:Palmatine; PRIME in-house No.:V0288; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
(2-acetyloxy-3,6-diphenylcyclohexyl) acetate_major
Palmatine
Palmatine is a berberine alkaloid and an organic heterotetracyclic compound. It has a role as a plant metabolite. Palmatine is a natural product found in Coptis chinensis var. brevisepala, Thalictrum petaloideum, and other organisms with data available. See also: Berberis aristata stem (part of).
Coriandrone D
Vincarine
D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
(+)-Quebrachidine
DI-TERT-BUTYL (DISULFANEDIYLBIS(ETHANE-2,1-DIYL))DICARBAMATE
(2-TERT-BUTOXYCARBONYLAMINO-PYRIDIN-4-YL)-ACETICACID
(4-CHLORO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)BORONIC ACID
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-4-((TERT-BUTOXYCARBONYL)AMINO)BUTANOIC ACID
Piperazin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone hydrochloride
2,6-BIS[(E)-1H-INDOL-3-YLMETHYLIDENE]CYCLOHEXANONE
2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(phenylmethyl)-N-propyl- (9CI)
3-[N,N-bis(methoxycarbonylethyl)]amino-4-methoxy acetanilide
methyl 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(piperazin-1-yl)benzoate
4-(4-(tert-butoxycarbonyl)piperazine-1-carbonyl)-3-fluorophenylboronic acid
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-hydroxypyrimidine-5-carboxylate
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
6-Methyl-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
9-[6(RS)-C-carboxamido-5,6,7-trideoxy-beta-D-ribo-octofuranosyl]-9H-purin-6-amine
[(9R,10S,12S,13E,14R,16S,18R)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate
(1R,4Z,6R,7R)-4-ethylidene-7,14-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
[(10S,12R,13R,14S,16S,18R)-13-(hydroxymethyl)-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
3-[(2E,4E)-4,6-dimethyl-2,4-octadienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-2(1H)-pyridinone
Methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(16Z,19Z)-16,17,19,20-Tetradehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1-piperidinyl)-2-phenylacetamide
N-[3-(1-imidazolyl)propyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
N-[(tert-butylamino)-oxomethyl]-2-[4-(3-chlorophenyl)-1-piperazinyl]acetamide
2-(4-methylphenoxy)-N-[2-[oxo(1-piperidinyl)methyl]phenyl]acetamide
[4-(Phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-(1-piperidinyl)methanone
1-[1-(4-Methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-piperidinecarboxamide
4-[2-(3-Fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
methyl (1R,9R,12S,13E,16S,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)-4-quinazolinamine
Methyl (Z)-2-[(3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate
methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
6-deoxy-2-O-(6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranosyl)-3-O-methyl-alpha-L-mannopyranose
3-O-(2,3,4-tri-O-methyl-alpha-L-fucopyranosyl)-alpha-L-rhamnopyranose
isopseudostrychnine
A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from the seeds of Strychnos nux-vomica.
N-[2-(3,4-diethoxyphenyl)ethyl]-1H-indole-5-carboxamide
2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
2-cyclopropyl-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-oxanyl]acetamide
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-2-thiazolimine
methyl (10S,13E,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium
N-[(9S,13S,14S)-16-hydroxyimino-13-methyl-3-prop-2-enoxy-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
methyl (1S,12S,13R,14R,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
methyl (1S,11R,13R,14S)-13-ethyl-13-hydroxy-8,15-diazahexacyclo[9.6.2.01,9.02,7.011,14.015,18]nonadeca-2,4,6,9-tetraene-10-carboxylate
(1S,8R,16S,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9,11,13-tetraen-21-one
methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
methyl (15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
methyl (1R,10S,12S,13E,16S,18R)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
1,1,2,2,3,3-Hexamethyl-4,5-diphenyl-1,2,3-trisilacyclopent-4-ene
(Trimethyl-1,1-diphenyldisilanyl)trimethylsilylacetylene
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
methyl (1S,5R,6R,8R,9S,10S)-8-ethyl-8-hydroxy-4,13-diazahexacyclo[10.7.0.01,5.04,9.06,10.014,19]nonadeca-11,14,16,18-tetraene-11-carboxylate
Methyl (1R,12S,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
3-hydroxy-1-(8-hydroxy-6-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-3-methylbutan-2-yl acetate
alpha-L-Rhap2,3Me2-(1->2)-alpha-L-Rhap3Me
A disaccharide derivative consisting of 3-O-methyl-alpha-L-rhamnose having a 2,3-di-O-methyl-alpha-L-rhamnosyl residue attached at the 2-position.
(19E)-geissoschizine
An indole alkaloid with formula C21H24N2O3. It is a biosynthetic precursor for a variety of monoterpenoid indole alkaloids.
1-lauroyl-sn-glycerol 3-phosphate(2-)
An anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-lauroyl-sn-glycerol 3-phosphate.
2,3,4-tri-O-methyl-alpha-L-fucosyl-(1->3)-alpha-L-rhamnose
A glycosylrhamnose derivative consisting of alpha-L-rhamnose having a 2,3,4-tri-O-methyl-alpha-L-fucosyl residue attached at the 3-position.
(7r,8s,8ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1h-isochromen-6-one
methyl 10-hydroxy-20-methyl-8,16-diazahexacyclo[10.6.1.1⁹,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2,4,6,13-tetraene-10-carboxylate
2,2-dimethyl-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]chromene
(2r,4r)-4,5-dimethoxy-8,8-dimethyl-2-phenyl-2h,3h,4h-pyrano[2,3-f]chromene
(2e)-n-(4-{[1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}butyl)-3-phenylprop-2-enimidic acid
(1r,9s,10s,11r,12e,17s)-8-acetyl-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene-10-carbaldehyde
methyl (1s,18r,19r,20r)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-19-carboxylate
methyl (1s,12s,13s,14s,15z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate
methyl (1s,15s,16r,18s)-16-ethyl-12-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(1r,10s,12s,13r,14s,16s,17s,18r)-13-(hydroxymethyl)-14-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6,8-tetraen-18-yl acetate
methyl (1r,12r,16s,22r)-15-oxa-8,19-diazahexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosa-2,4,6,9-tetraene-10-carboxylate
methyl (1r,9s,10r,12r,19s,20s)-10-hydroxy-20-methyl-8,16-diazahexacyclo[10.6.1.1⁹,¹².0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2,4,6,13-tetraene-10-carboxylate
methyl (1r,10s,12r,13e,18r)-13-ethylidene-6-methoxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
(2r,3r,4r,5r,7s)-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraen-5-ol
methyl 13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
(1r,10s,13r,14s,16s)-13-(hydroxymethyl)-14-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6,8-tetraen-18-yl acetate
8,10-dimethoxy-12-phenyl-4-(prop-1-en-2-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene
(1s,8r,16s)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.0¹,¹⁶.0⁵,¹⁶.0⁸,¹⁷.0⁹,¹⁴]henicosa-2,9(14),10,12-tetraen-21-one
methyl (1s,15r,17s,18s)-17-ethyl-11-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (1r,9r,16s,18s,20s,21r)-20-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
methyl (13e,14s,16s,18r)-13-ethylidene-18-(hydroxymethyl)-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
1-[(1r,11s,12e,17s)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraen-8-yl]-2-hydroxyethanone
{6-[(acetyloxy)methyl]-5-(2-chloroethyl)-2,2-dimethyl-1,3-dihydroinden-4-yl}methyl acetate
methyl (13e)-13-ethylidene-6-methoxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
1-{6-methoxy-20-methyl-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
methyl (1s,15r,17s,18s)-17-ethyl-14-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
[(1s,14r)-15-formyl-16-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methyl acetate
(1r,11r,12r,13r,14e,19s,21s)-11-hydroxy-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6-trien-9-one
4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraen-5-ol
13-isopropyl-14,15-dimethoxy-7,7-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dione
(1'r,2's,3s,5's,6's,8'r,11's)-2'-ethenyl-1-methoxy-4'-methyl-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-2-one
methyl (1s,5r,6r,8r)-8-ethyl-8-hydroxy-4,13-diazahexacyclo[10.7.0.0¹,⁵.0⁴,⁹.0⁶,¹⁰.0¹⁴,¹⁹]nonadeca-11,14,16,18-tetraene-11-carboxylate
11-hydroxy-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6-trien-9-one
(19e)-19-ethylidene-18-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraen-14-one
(1r,3r,4s,7s)-3-hydroxy-5-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,3-dimethyl-7-phenylbicyclo[2.2.2]octane-2,6-dione
methyl (15r,17r,19s)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18),13-pentaene-17-carboxylate
methyl 2-[5-(acetyloxy)-4a,8-dimethyl-3,6-dioxo-2,4,5,8a-tetrahydro-1h-naphthalen-2-yl]-2-hydroxypropanoate
methyl (1r,14r,15e)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraene-18-carboxylate
(1s,3s,4s,5s,6s,7s,10r)-4,5,6-trihydroxy-9,9-dimethyl-5-(3-methylbut-3-en-1-yn-1-yl)-2,8-dioxatricyclo[5.4.0.0¹,³]undecan-10-yl acetate
methyl (1s,12s,13s,14s,15e)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate
5,6,7-trihydroxy-10,10-dimethyl-4-(3-methylbut-3-en-1-yn-1-yl)-3,11-dioxatricyclo[5.4.0.0²,⁴]undecan-9-yl acetate
2-[(4-hydroxy-3,6-dimethyl-5,8-dihydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (13e)-13-ethylidene-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
16-Ep-i19-S-vindolinine-N-oxide
{"Ingredient_id": "HBIN001891","Ingredient_name": "16-Ep-i19-S-vindolinine-N-oxide","Alias": "NA","Ingredient_formula": "C21H24N2O3","Ingredient_Smile": "CC1C23CC(C14C5(C2[N+](CC5)(CC=C3)[O-])C6=CC=CC=C6N4)C(=O)OC","Ingredient_weight": "352.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34375","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "78358538","DrugBank_id": "NA"}
16-epideacetylakuammiline
{"Ingredient_id": "HBIN001892","Ingredient_name": "16-epideacetylakuammiline","Alias": "NA","Ingredient_formula": "C21H24N2O3","Ingredient_Smile": "CC=C1CN2CCC34C5=CC=CC=C5N=C3C2CC1C4(CO)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16-hydroxymethylpleiocarpamine
{"Ingredient_id": "HBIN001917","Ingredient_name": "16-hydroxymethylpleiocarpamine","Alias": "NA","Ingredient_formula": "C21H24N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10516","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-(z)-akuammidine
{"Ingredient_id": "HBIN002224","Ingredient_name": "19-(z)-akuammidine","Alias": "NA","Ingredient_formula": "C21H24N2O3","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC","Ingredient_weight": "352.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44583830","DrugBank_id": "NA"}
(2s)-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxy-octahydroisoindol-2-yl]-5-guanidino pentanoicacid
{"Ingredient_id": "HBIN006579","Ingredient_name": "(2s)-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxy-octahydroisoindol-2-yl]-5-guanidino pentanoicacid","Alias": "NA","Ingredient_formula": "C16H24N4O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6340","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-4',4'-dimethoxy-ongokein
{"Ingredient_id": "HBIN006735","Ingredient_name": "(2s)-4',4'-dimethoxy-ongokein","Alias": "NA","Ingredient_formula": "C18H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6270","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Ⅳ,ajmalicine
{"Ingredient_id": "HBIN014954","Ingredient_name": "\u2163,ajmalicine","Alias": "NA","Ingredient_formula": "C21H24N2O3","Ingredient_Smile": "CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40763","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
akuammidine
{"Ingredient_id": "HBIN015025","Ingredient_name": "akuammidine","Alias": "NA","Ingredient_formula": "C21H24N2O3","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC","Ingredient_weight": "352.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32835","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113962","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-82
{"Ingredient_id": "HBIN016338","Ingredient_name": "anticancer flavonoid pmv70p691-82","Alias": "NA","Ingredient_formula": "C22H24O4","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)OC)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1413","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}