TCMBANKIN014962 |
3,5,6,7,8-pentahydroxy-2-phenyl-4h-1-benzo-pyran-4-one |
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C15H10O7 |
302.23 g/mol |
C1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O |
TCMBANKIN026627 |
3.5.6.7- four-3.3.4.5.5.8- six hydrogen methyl-indacen-1(2H)- ketone |
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TCMBANKIN041940 |
gluconasturtiin |
GNST; 2-phenylethyl-glucosinolate |
C15H21NO9S2 |
423.5 g/mol |
C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O |
TCMBANKIN043296 |
2',3',4',5',6'-pentahydroxychalcone |
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C15H12O6 |
288.25 g/mol |
C1=CC=C(C=C1)C=CC(=O)C2=C(C(=C(C(=C2O)O)O)O)O |
TCMBANKIN045930 |
Sinapine |
18696-26-9; AK676101; ZINC1532786; C00933; Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium; AC1Q65Q4; Sinapine bisulphate; sinapic acid choline ester; 09211A0HHL; ACon1_000255; 2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium; UNII-09211A0HHL; MCULE-2468175287; Q-100224; O-sinapoylcholine; CHEBI:16353; AC1NQWZ5; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethanaminium; BRD-K21295184-064-01-0; 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium; 4-Hydroxy-3,5-dimethoxycinnamate choline; BG01022959; MEGxp0_001763; AKOS030626997; C16H24NO5; DTXSID10171957; Sinapoylcholine; Ethanaminium,2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-; Sinapine; 8262AH; sinapoylcholine; sina-pine; 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium; MolPort-019-904-083 |
C17H25N2O5S |
370 |
O(C(=O)\C([H])=C([H])\c1c([H])c(OC([H])([H])[H])c(O[H])c(OC([H])([H])[H])c1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H].N#CS |
TCMBANKIN047723 |
sinalbin |
sinalbin ; 4-hydroxybenzyl-Glucosinolate |
C14H19NO10S2 |
425.4 g/mol |
C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O |
TCMBANKIN058046 |
allyl isothiocyanate |
Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard |
C4H5NS |
99.16 g/mol |
C=CCN=C=S |
TCMBANKIN058237 |
4-HYDROXYBENZYLCYANIDE |
(4-Hydroxyphenyl)acetonitrile; 36554_RIEDEL; 14191-95-8; C03766; 4-10-00-00554 (Beilstein Handbook Reference); BRN 1934470; 4-hydroxyphenylacetic acid nitrile; Benzeneacetonitrile, 4-hydroxy-; NSC76080; SB 00735; ZINC00164447; 4-Hydroxyphenylacetonitrile; H21101_ALDRICH; 54874_FLUKA; P-HYDROXYBENZYL CYANIDE; CHEBI:16667; Acetonitrile, (p-hydroxyphenyl)-; 4-hydroxybenzyl cyanide; ACETIC ACID,(4-HYDROXYPHENYL),NITRILE 4-HYDROXY-BENZYLCYANIDE; Benzeneacetonitrile, 4-hydroxy- (9CI); 4-Hydroxybenzeneacetonitrile; NSC 76080; EINECS 238-046-0; p-Hydroxyphenylacetonitrile; 2-(4-hydroxyphenyl)ethanenitrile; 2-(4-hydroxyphenyl)acetonitrile; 4-Hydroxybenzyl cyanide; InChI=1/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H;4-hydroxybenzeneacetonitrile |
C8H7NO |
133.15 |
C1=CC(=CC=C1CC#N)O |
TCMBANKIN058238 |
sinalbine |
sinalbin ; 4-hydroxybenzyl-Glucosinolate |
C14H19NO10S2 |
425.4 g/mol |
C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O |
TCMBANKIN061749 |
6'-sinapoylspinosin |
6' -Sinapoylspinosin; [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)-7-methoxy-4-oxo-5,6-dihydrochromen-6-yl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; AC1NT0EY |
C39H44O19 |
800.83 |
COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)CO)O)O)O)O)O |
TCMBANKIN061751 |
Sinapaldehyde |
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; 4206-58-0; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3,5-Dimethoxy-4-hydroxycinnamaldehyde; sinapaldehyde; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; 3,5-Dimethoxy-4-hydroxycinnamaldehyde (E); (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; MEGxp0_001085; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; Sinapinaldehyde; trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde; 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; C05610; ACon1_001103; 382159_ALDRICH; Sinapoyl aldehyde; (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenal; sinapyl aldehyde; CHEBI:27949;sinapal dehyde |
C11H12O4 |
208.21 |
COC1=CC(=CC(=C1O)OC)C=CC=O |