TCMBANKIN000008 |
ergothioneine |
|
C9H15N3O2S |
229.3 g/mol |
C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-] |
TCMBANKIN000022 |
agmatine |
|
C5H14N4 |
130.19 g/mol |
C(CCN=C(N)N)CN |
TCMBANKIN000057 |
secalonic acid d |
secalonicacid d |
C32H30O14 |
638.6 g/mol |
CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O |
TCMBANKIN000067 |
Embelin |
MFCD00016369; CS-1879; BS0074; CHEBI:4778; BDBM50078850; NCGC00017248-04; SCHEMBL148744; AKOS016010144; NCGC00025359-02; ZINC1531764; 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-; AIDS-009914; TNP00137; SBB005949; BRN 1885786; AC-542/20644009; Embelin, <i>Embelia ribes; NCI60_042031; NCGC00017248-12!2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione; HSCI1_000123; Embelin, Embelia ribes; C10342; AK115155; Apoptosis Activator III, Embelin; CCG-39906; NCGC00017248-06; BSPBio_003531; 2,5-Dihydroxy-3-undecyl-[1,4]benzoquinone; LS-40347; KBio2_004561; 4-08-00-02769 (Beilstein Handbook Reference); Embelin, >=98% (HPLC), powder; D05HSW; NSC 91874; DTXSID80203537; C17H26O4; MCULE-1558476181; KBio2_001993; 4CH-024635; C-52730; 550-24-3; V0365; embelin ; SR-01000597536; embelin; DivK1c_006597; SR-01000597536-1; KBio1_001541; EMBELIN; UNII-SHC6U8F5ER; SPECTRUM1504074; NCGC00017248-03; Embelic acid; SHC6U8F5ER; MolPort-000-165-323; Spectrum3_001931; KBioSS_001993; NSC-91874; 2,5-Dihydroxy-3-undecyl-p-benzoquinone; Tocris-2156; EINECS 208-979-8; MLS000563189; SpecPlus_000501; p-Benzoquinone,5-dihydroxy-3-undecyl-; AC1L1FFT; Spectrum5_000620; BIDD:ER0529; SMR000470851; NCGC00017248-07; 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl- (9CI); XIAP inhibitor, Embelin; NCGC00025359-04; S7025; HY-17473; NCGC00025359-05; ST057212; 2,4-dione, 2,5-dihydroxy-3-undecyl-; NCGC00025359-03; HMS3268N13; NCGC00017248-08; KBio2_007129; ST24038748; NCGC00017248-05; KBioGR_002240; E1406_SIGMA; AIDS009914; Spectrum4_001760; HMS3652J16; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; AC1Q6BUE; HMS1922B07; HMS2271A03; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; SR-01000597536-3; KB-225927; Emberine; Spectrum_001513; 2,5-dihydroxy-3-undecyl-1,4-benzochinon; KBio3_002783; SDCCGMLS-0066817.P001; NCGC00017248-02; NCGC00017248-10; NCGC00025359-01; CHEMBL221137; 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione; NSC91874; NCGC00017248-01; FT-0712499; 2,5-dihydroxy-3-undecyl-cyclohexa-2,5-diene-1,4-dione; p-Benzoquinone, 2,5-dihydroxy-3-undecyl-; IRSFLDGTOHBADP-UHFFFAOYSA-N |
C17H26O4 |
294.39 |
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O |
TCMBANKIN000305 |
lysergicacid |
|
C16H16N2O2 |
268.31 g/mol |
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O |
TCMBANKIN000445 |
hexyl amine-1 |
|
C6H15N |
101.19 g/mol |
CCCCCCN |
TCMBANKIN001148 |
ergosecalinine |
|
C24H28N4O4 |
|
CC(C)C1C(=O)OC(C(=O)N1)(C)NC(=O)C2CN(C3CC4=CNC5=CC=CC(=C45)C3=C2)C |
TCMBANKIN001762 |
ergocristine |
|
C35H39N5O5 |
609.71 |
CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |
TCMBANKIN002907 |
guanosine |
Guanosine, hydrate; s3068; CTK0F0492; Guanosine hydrate (1:1); 2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihyd; YCHNAJLCEKPFHB-GWTDSMLYSA-N; Guanosine, hydrate (1:1); Z-4761; SCHEMBL555106; AK645793; 1143525-19-2; MolPort-003-935-435; guanosine-hydrate; AK607682; 2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one hydrate(1:x); 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one hydrate; 2451AH; 294B1373-E8C3-442D-8240-D7EA2650B160; AKOS030573276; 141433-61-6; ro-6H-purin-6-one hydrate; 2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one hydrate; Guanosine Hydrate; B3678 |
C10H13N5O5 |
283.24 |
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N |
TCMBANKIN005352 |
ergocornine |
|
C31H39N5O5 |
561.7 g/mol |
CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
TCMBANKIN005580 |
Clavorubin |
clavorubin; 1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acid; 1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid; 1,5,6,8-tetrahydroxy-9,10-diketo-3-methyl-anthracene-2-carboxylic acid; 1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxo-anthracene-2-carboxylic acid |
C16H10O8 |
330.24 g/mol |
CC1=CC2=C(C(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
TCMBANKIN006201 |
elymoclavine |
|
C16H18N2O |
254.33 |
CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
TCMBANKIN006943 |
histamine |
beta-Aminoethylglyoxaline; 3bu1; IDI1_002144; Bio1_000976; AIDS020252; Histamium; 2-(3H-imidazol-4-yl)ethanamine; Bio1_000487; 5-Imidazoleethylamine; 4-Imidazoleethylamine; NCGC00093371-03; Spectrum3_000452; BCBcMAP01_000250; KBio3_000854; L-histamine; 1H-Imidazole-4-ethanamine; Spectrum4_000960; BSPBio_001117; KBio2_003893; C00388; 2-(1H-imidazol-4-yl)ethanamine; KBio2_000457; KBioSS_000457; Histamine, Free Base; CCRIS 6535; SMR000059091; NSC33792; KBio2_003025; CHEBI:58432; 2-(4-Imidazolyl)ethylamine; BSPBio_002124; Istamina [Italian]; Ergamine; 2-(1H-imidazol-5-yl)ethylazanium; ZERO/004089; HSM; 4-(2-Aminoethyl)-1H-imidazole; Eramin; Spectrum_000845; CJ-15872; Histamine Base; histaminium; .beta.-Imidazolyl-4-ethylamine; histaminium cation; Bio1_001465; beta-Imidazolyl-4-ethylamine; NSC 33792; KBioGR_001580; 3rxh; SMP1_000151; WLN: T5M CNJ D2Z; Histamine [USAN]; Imidazole-4-ethylamine; beta-Aminoethylimidazole; Spectrum2_000665; KBioSS_001325; Ergotidine; KBio3_000853; 2-Imidazol-4-ylethylamine; SDCCGMLS-0066601.P001; 5-(2-Aminioethyl)-1H-imidazole; 2-(3H-imidazol-4-yl)ethylamine; peremin; A828600; 51-45-6; AIDS-020252; HSDB 3338; NCGC00015513-01; HISTAMINE; EINECS 200-100-6; KBio2_005593; Lopac0_000595; nchembio714-comp1; KBio1_000308; MLS000069447; CHEBI:18295; Lopac-H-7250; Ethylamine, 2-imidazol-4-yl-; KBio3_001344; Free histamine; IDI1_000308; H7125_SIGMA; 2-(1H-imidazol-4-yl)ethanaminium; KBioGR_000457; KBio2_006461; ST073926; 53290_FLUKA; FT-0669215; 2-(1H-imidazol-5-yl)ethylammonium; beta-aminothethylglyoxaline; Bio2_000389; Spectrum5_000796; SPBio_000729; Theramine; DivK1c_000308; KBio2_001325; NINDS_000308; NCGC00093371-04; Bio2_000869; Imidazole, 4-(2-aminoethyl)-; 2-(1H-imidazol-5-yl)ethanamine |
C5H9N3 |
111.15 |
C1=C(NC=N1)CCN |
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
TCMBANKIN010879 |
ergocorninine |
|
C31H39N5O5 |
561.7 g/mol |
CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
TCMBANKIN011607 |
secalonic acid a |
secalonicacid a |
C32H30O14 |
638.6 g/mol |
CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O |
TCMBANKIN011978 |
ergometrinine |
|
C19H23N3O2 |
325.4 g/mol |
CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C |
TCMBANKIN012727 |
ergocristinine |
|
C35H39N5O5 |
609.7 g/mol |
CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |
TCMBANKIN014260 |
Costaclavine |
6,8-Dimethylergoline; costaclavine; Costaclavin; (2S,4R,7R)-4,6-DIMETHYL-6,11-DIAZATETRACYCLO[7.6.1.0(2),?.0(1)(2),(1)?]HEXADECA-1(16),9,12,14-TETRAENE; AC1L4NNM; 436-41-9; Ergoline, 6,8-dimethyl-, (8beta,10beta)-; Epicostaclavin; Pyroclavin |
C16H20N2 |
240.34 g/mol |
CC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C |
TCMBANKIN014641 |
erinacine a |
|
C25H36O6 |
432.5 g/mol |
CC(C)C1=C2C3=CC=C(CC(C3(CCC2(CC1)C)C)OC4C(C(C(CO4)O)O)O)C=O |
TCMBANKIN015521 |
l-histidine |
Histidine monohydrochloride; histidin hydrochloride; Histidine, hydrochloride (1:1); TC-066771; 123333-71-1; NSC27422; D-Histidine, monohydrochloride; NSC46706; dl-histidine hydrochloride monohydrate; DL-HISTIDINE HYDROCHLORIDYL; L-Histidine dihydrochloride; NSC-27422; AK114057; DL-Histidine hydrochloride; 6459-59-2; L-Histidine, hydrochloride (1:1); NSC257867; L-Histidine, monohydrochloride; EN300-74227; KB-227425; MFCD00064555; NSC-206275; D-Histidine, hydrochloride; SC-15765; Histidine hydrochloride; Histidine, DL-; CTK8C6860; Histidine HCl; NSC-257867; DL-Histidine, hydrochloride; MCULE-2221977105; NSC206275; 2-Amino-3-(1H-imidazol-4-yl)propanoic acid hydrochloride; DL-Histidine monoHCl; AKOS015847815; DL-HISTIDINE MONOHYDROCHLORIDE; DL-Histidine? inverted exclamation mark currencyHCl; D-Histidine, hydrochloride (1:1); (R,S)-histidine monohydrochloride; NE11134; VC30754; SBB003627; FT-0636156; L-HISTIDINE DI HCL; NSC-46706; 2-amino-3-(1H-imidazol-5-yl)propanoic acid hydrochloride; L-Histidine monohydrochloride; SCHEMBL139654; V0436; DL-Histidine, monohydrochloride; HISTIDINE,(L); (--)-Histidinmonohydrochlorid; MolPort-003-983-035; D-Histidine hydrochloride; Histidine dihydrochloride; rac-histidine monohydrochloride; AKOS016367771; AN-32791; BG00602759 |
C6H10ClN3O2 |
191.61 g/mol |
C1=C(NC=N1)CC(C(=O)O)N.Cl |
TCMBANKIN016952 |
vitamin d |
(6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol; CHEBI:89324; 24,25-dihydroxyvitamin; 24,25-Dihydroxyvitamin D; 24,25-Dihydroxycholecalciferol; 24,25-dihydroxyvitamin D3; (3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol |
C27H44O3 |
416.6 g/mol |
CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
TCMBANKIN018664 |
CHANOCLAVINE |
SAHHMCVYMGARBT-UXBLZVDNSA-N; 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4-(methylamino)benz[cd]indol-5-yl]-, [4R-[4.alpha.,5.beta.(E)]]-; 1349-51-5; chanoclavine; Chanoclavine-I; C09131; 2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-; SCHEMBL10822246; 2-Methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-propen-1-ol-, (4R-(4alpha,5beta (E)))-; 2390-99-0; Chanoclavine I; 6,7-Secoergoline-8-methanol, 8,9-didehydro-6-methyl-, (E)-; Secaclavine; Isochanoclavin; 11012-16-1; Secaclavin; 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4.beta.-(methylamino)benz[cd]indol-5.alpha.-yl]-; Chanoclavin-I; Benz[cd]indole, 2-propen-1-ol deriv.; 479-04-9 |
C16H20N2O |
256.34 |
CC(=CC1C(CC2=CNC3=CC=CC1=C23)[NH2+]C)CO |
TCMBANKIN020023 |
ergosine |
|
C30H37N5O5 |
547.6 g/mol |
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
TCMBANKIN023284 |
ergosinine |
|
C30H37N5O5 |
547.6 g/mol |
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
TCMBANKIN027018 |
isolysergicacid |
|
C16H16N2O2 |
268.31 g/mol |
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O |
TCMBANKIN027316 |
secalonic acid c |
secalonicacid c |
C32H30O14 |
638.6 g/mol |
CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O |
TCMBANKIN029399 |
ergochrysin |
|
C31H28O14 |
|
CC1CC2C3(C(=O)C4=C(C=CC(=C4O)C5=C(C6=C(C=C5)OC7(C(C(CC(=O)C7=C6O)C)O)C(=O)OC)O)OC3(C1O)C(=O)O2)O |
TCMBANKIN029604 |
ergoflavine |
|
C30H26O14 |
|
CC1CC2C3(C(=O)C4=C(C=CC(=C4O)C5=C(C6=C(C=C5)OC78C(C(CC(C7(C6=O)O)OC8=O)C)O)O)OC3(C1O)C(=O)O2)O |
TCMBANKIN029777 |
vitamin d3 |
|
C28H46O |
398.7 g/mol |
CC(C)C(C)CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
TCMBANKIN030802 |
vitamin d2 |
|
C28H44O |
399.7 g/mol |
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
TCMBANKIN032162 |
ergotamine |
|
C33H35N5O5 |
581.7 g/mol |
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |
TCMBANKIN034484 |
secalonic acid b |
secalonicacid b |
C32H30O14 |
638.6 g/mol |
CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O |
TCMBANKIN035113 |
6,7-seco-angustilobine B |
|
C20H24N2O3 |
340.4 g/mol |
CN1CCC2C(=CCOCC2(C3=CC4=CC=CC=C4N3)C(=O)OC)C1 |
TCMBANKIN035846 |
clemaphenolA |
CHEBI:81346; clemaphenol a; 5-[(3S,3aR,6S,6aR)-6-(3-hydroxy-4-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol; Clemaphenol A; C17808; ZINC56874799; clemaphenol A |
C20H22O6 |
358.4 g/mol |
COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)O)O |
TCMBANKIN037913 |
ergolide |
|
C17H22O5 |
306.4 g/mol |
CC1CC2C(C(C3(C1CCC3=O)C)OC(=O)C)C(=C)C(=O)O2 |
TCMBANKIN040008 |
Isosetoclavine |
|
|
254.33 g/mol |
|
TCMBANKIN040523 |
O-12'-Methyl-alpha-ergokryptinine |
o-12'-methyl-α-ergokryptinine |
C33H43N5O5 |
|
c1([H])c([H])c2c(c(c([H])n3[H])C([H])([H])[C@]4([H])C2=C([H])[C@@](C(=O)N([H])[C@@]5(O[C@]6(OC([H])([H])[H])N(C5=O)[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])C([H])([
H])C7([H])[H])[C@]67[H])C([H])(C([H])([H])[H])C([H])([H])[H])([H])C([H])([H])N4C([H])([H])[H])c3c1[H] |
TCMBANKIN041100 |
n-Hexyl-β-D-glucopyranoside |
n-hexyl-beta-d-glucopyranoside |
|
264.31 g/mol |
|
TCMBANKIN041512 |
Ergocrytine |
|
C32H41N5O5 |
|
c(c(n([H])c1[H])c([H])c([H])c2[H])(c2C(=C([H])[C@@]([H])(C(=O)N([H])[C@@](C([H])(C([H])([H])[H])C([H])([H])[H])(C3=O)O[C@@](O[H])([C@]([H])(C([H])([H])C([H])([H])C4([H])[H])N4C(=O)[C@@]5(C([H])([H])C(
[H])(C([H])([H])[H])C([H])([H])[H])[H])N35)C([H])([H])N6C([H])([H])[H])[C@@]6([H])C7([H])[H])c17 |
TCMBANKIN044027 |
O-12'-Methyl-alpha-ergokryptine |
o-12'-methyl-α-ergokryptine |
C33H43N5O5 |
|
c1([H])c([H])c2c(c(c([H])n3[H])C([H])([H])[C@]4([H])C2=C([H])[C@](C(=O)N([H])[C@@]5(O[C@]6(OC([H])([H])[H])N(C5=O)[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])C([H])([H
])C7([H])[H])[C@]67[H])C([H])(C([H])([H])[H])C([H])([H])[H])([H])C([H])([H])N4C([H])([H])[H])c3c1[H] |
TCMBANKIN044156 |
Guibourtinidol-(4alpha6)-catechin |
|
C30H26O10 |
546.521 |
c1(O[H])c([H])c([H])c([C@@]2([C@@]([H])(O[H])[C@@]([H])(c3c(O[H])c4c(O[C@]([H])(c5c([H])c([H])c(O[H])c(O[H])c5[H])[C@]([H])(O[H])C4([H])[H])c([H])c3O[H])c(c([H])c([H])c(O[H])c6[H])c6O2)[H])c([H])c1[H] |
TCMBANKIN048318 |
setoclavine |
|
C16H18N2O |
254.33 g/mol |
CC1(CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C)O |
TCMBANKIN058027 |
Secologanate |
secologanic acid; (4S,5R,6S)-4-(2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid; C01957; (4S,5R,6S)-4-(2-oxoethyl)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid; (4S,5R,6S)-5-ethenyl-4-(2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylic acid; (4S,5R,6S)-4-(2-ketoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid |
C16H22O10 |
374.34 g/mol |
C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC=O |
TCMBANKIN058252 |
tyramine |
AIDS018687; 4-(2-aminoethyl)phenol; p-.beta.-Aminoethylphenol; NINDS_000918; Spectrum2_000738; Spectrum3_000693; Phenol, p-(2-aminoethyl)-; HSDB 2132; tyraminium cation; to_000085; 2-(4-hydroxyphenyl)ethylammonium; Tenosin-Wirkstoff; tyraminium(1+); Spectrum5_000501; Lopac-T-2879; 4-Hydroxyphenethylamine; NSC249188; InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H; BSPBio_002445; SMR000059295; Oprea1_294339; SGCUT00017; AC1NRWHX; KBio2_004261; Uteramine; BB_NC-1362; 2-(4-hydroxyphenyl)ethylazanium; 2-(4-Hydroxyphenyl)ethylamine; SPBio_000696; 3bra; Phenethylamine, p-hydroxy-; Spectrum4_001801; NCGC00063825-05; BRN 1099914; 4-Hydroxy-.beta.-phenylethylamine; 4-Hydroxyphenethylamine ((tyramine); 2-(p-Hydroxyphenyl)ethylamine; 93810_FLUKA; KBio1_000918; 51-67-2 (FREE BASE); NSC 249188; NCGC00063825-04; p-Hydroxy-.beta.-phenethylamine; NCGC00016011-01; 59880-97-6 (HCL); BPBio1_001394; ZB000512; 4-(2-Aminoethyl)phenol; KBioSS_001693; p-Hydroxyphenylethylamine; DivK1c_000918; p-Hydroxyphenethylamine; p-beta-Aminoethylphenol; NCGC00063825-07; .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane; IDI1_000918; Benzeneethanamine, 4-hydroxy-; tyraminium; WLN: Z2R DQ; beta-Hydroxyphenylethylamine; A828724; alpha-(4-Hydroxyphenyl)-beta-aminoethane; KBio2_001693; KBio3_001665; p-Tyramine; 4-Hydroxyphenylethylamine; T90344_ALDRICH; Tocosine; KBio2_006829; MLS000079096; Phenol, 4-(2-aminoethyl)-; EINECS 200-115-8; BDBM50067723; 2-(4-hydroxyphenyl)ethanaminium; Tyrosamine; .beta.-(4-Hydroxyphenyl)ethylamine; C00483; Biomol-NT_000075; Tyramine; Systogene; 4-13-00-01788 (Beilstein Handbook Reference); p-(2-Aminoethyl)phenol; 51-67-2; 2-(4-Hydroxy-phenyl)-ethyl-ammonium; Spectrum_001213; Lopac0_001136; NCGC00063825-08; CJ-00085; CHEBI:15760; CHEBI:327995; KBioGR_002405; SPECTRUM210400; LS-189905; (4-hydroxyphenethyl)ammonium; AIDS-018687; Tyramin; 4-Hydroxyphenethylaminium |
C8H11NO |
137.18 |
C1=CC(=CC=C1CCN)O |
TCMBANKIN058255 |
Tyrosol |
NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol |
C8H10O2 |
138.16 g/mol |
C1=CC(=CC=C1CCO)O |
TCMBANKIN059147 |
ergosterin |
ergosterol;24-Methylcholesta-5,7,22-trien-3beta-ol; 24alpha-Methyl-22E-dehydrocholestero; (3beta,22E)-Ergosta-5,7,22-trien-3-ol; (7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; 45480_FLUKA; (24R)-Ergosta-5,7,22-trien-3b-ol; MEGxm0_000450; Ergosterin; 24R-Methylcholesta-5,7,22E-trien-3b-ol; 57-87-4; Ergosterol; ergosta-5,7,22E-trien-3beta-ol; (3beta)-Ergosta-5,7,22-trien-3-ol; C01694; 5,7,22-Ergostatrien-3beta-ol; AIDS064232; E6510_SIGMA; Provitamin D2; (22E)-Ergosta-5,7,22-trien-3.beta.-ol; A831651; ergosta-5,7,22-trienol; ergosta-5,7,22-trien-3 beta-ol; 24R-Methylcholesta-5,7,22E-trien-3beta-ol; ACon0_000429; ERG; ST073383; (3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 24-Methylcholesta-5,7,22-trien-3b-ol; ACon1_000637; (3beta,2E)-Ergosta-5,7,22-trien-3-ol; Provitamine D2; AIDS-064232; 24a-Methyl-22E-dehydrocholesterol; ergosta-5,7,22-trien-3-ol; 47130U_SUPELCO; LMST01030093; (22E)-ergosta-5,7,22-trien-3beta-ol; ZINC04084618; (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 3beta-Hydroxy-5,7,22-ergostatriene; CHEBI:16933; (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol |
C28H44O |
396.6 g/mol |
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
TCMBANKIN059198 |
o-12'-methyl ergocornine;
o-12'-methyl ergocorninine |
|
C32H41N5O5+U2K2:V2J4K2:T2K2:U2 |
|
CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)OC |
TCMBANKIN059241 |
ergocryptine |
ergokryptinine;α-ergokryptinine |
C32H41N5O5 |
575.7 g/mol |
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
TCMBANKIN059366 |
ergonovine |
ergometrine |
C19H23N3O2 |
325.4 g/mol |
CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C |
TCMBANKIN059453 |
Isoergotamine |
|
C33H35N5O5 |
581.66 |
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |
TCMBANKIN059684 |
Vitamin E β- |
|
C29H50O2 |
430.79 |
CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O |
TCMBANKIN059909 |
Tolualdehydes |
|
C8H8O |
120.15 g/mol |
CC1=CC=C(C=C1)C=O |
TCMBANKIN060158 |
Chaohuoside A |
|
|
979.04 |
CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)O)O)OC(=O)C |
TCMBANKIN060475 |
Pennogenin |
|
C27H42O4 |
430.6 g/mol |
CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)OC1 |
TCMBANKIN061282 |
methylamine |
|
CH5N |
31.057 g/mol |
CN |
TCMBANKIN061305 |
penniclavine |
|
C16H18N2O2 |
270.33 g/mol |
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)(CO)O |
TCMBANKIN061378 |
n-(2-methulaminobenzoyl)tryfamine |
N-(2-Methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-methylamino-benzamide; N-[2-(1H-indol-3-yl)ethyl]-2-methylaminobenzamide; n-(2-methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide; AC1NSY7J |
|
293.4 |
CNC1=CC=CC=C1C(=O)NCCC2=CNC3=CC=CC=C32 |