 | | FSE | | Name: | 3,7,3',4'-TETRAHYDROXYFLAVONE | | Formula: | C15 H10 O6 | | SMILES: | O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3 | | InChi: | InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H | | Synonyms: | Fisetin | | Definition date: | 2004-10-14 | | Last modified: | 2020-05-27 | | Identifier: | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one |
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 | | GB0 | | Name: | Bacteriochlorophyll g' | | Formula: | C50 H58 Mg N4 O5 | | SMILES: | C(C=C(/C)CCC=C(CCC=C(/C)C)C)OC(CCC=4C5=C2C1=N7C(C(=C1C(C2C(=O)OC)=O)C)=Cc9c(c(c8C=C3N6=C(C(=C3CC)C)C=C(C=4C)N5[Mg]67n89)C)CC)=O | | InChi: | InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37 | | Definition date: | 2017-08-11 | | Last modified: | 2020-05-27 | | Release date: | 2017-09-06 | | Identifier: | [methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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 | | DF8 | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C10 H15 N7 O4 | | SMILES: | NNc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O | | InChi: | InChI=1S/C10H15N7O4/c11-7-4-8(14-2-13-7)17(10(15-4)16-12)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H,15,16)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | NEOMYCIN A | | Definition date: | 2018-01-17 | | Last modified: | 2020-05-27 | | Release date: | 2019-01-30 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
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 | | DJN | | Name: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide | | Formula: | C8 H16 N2 O4 | | SMILES: | O=C(NC1C(O)C(O)C(NC1)CO)C | | InChi: | InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1 | | Synonyms: | 2-acetamido-1,2-dideoxy-D-galacto-nojirimycin | | Definition date: | 2012-02-14 | | Last modified: | 2020-05-27 | | Release date: | 2012-10-05 | | Identifier: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide |
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 | | DK1 | | Name: | 5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID | | Formula: | C10 H5 Cl2 N O3 | | SMILES: | Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O | | InChi: | InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16) | | Synonyms: | DCKA | | Definition date: | 2003-06-03 | | Last modified: | 2020-05-27 | | Identifier: | 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid |
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 | | DR6 | | Name: | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | | Formula: | C74 H142 O31 | | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C | | InChi: | InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3 | | Synonyms: | OCTYLPHENOXYPOLYETHOXYETHANOL | | Definition date: | 2005-03-16 | | Last modified: | 2020-05-27 | | Identifier: | 89-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol |
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 | | HBB | | Name: | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | | Formula: | C30 H43 N3 O6 S | | SMILES: | O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)C(C)C | | InChi: | InChI=1S/C30H43N3O6S/c1-21(2)16-17-33(40(37,38)25-9-6-5-7-10-25)20-27(34)26-19-23-12-14-24(15-13-23)39-18-8-11-28(35)32-29(22(3)4)30(36)31-26/h5-7,9-10,12-15,21-22,26-27,29,34H,8,11,16-20H2,1-4H3,(H,31,36)(H,32,35)/t26-,27+,29-/m0/s1 | | Synonyms: | N-[2-HYDROXY-2-(8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-11-YL)-ETHYL]-N-(3-METHYL-BUTYL)-BENZENESULFONAMIDE | | Definition date: | 2005-03-07 | | Last modified: | 2020-05-27 | | Identifier: | N-{(2R)-2-hydroxy-2-[(8S,11S)-8-(1-methylethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide |
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 | | HBH | | Name: | 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE | | Formula: | C29 H40 N4 O7 S | | SMILES: | O=S(=O)(c1ccccc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3)CC(=O)N | | InChi: | InChI=1S/C29H40N4O7S/c1-20(2)14-15-33(41(38,39)23-7-4-3-5-8-23)19-26(34)24-17-21-10-12-22(13-11-21)40-16-6-9-28(36)31-25(18-27(30)35)29(37)32-24/h3-5,7-8,10-13,20,24-26,34H,6,9,14-19H2,1-2H3,(H2,30,35)(H,31,36)(H,32,37)/t24-,25-,26+/m0/s1 | | Synonyms: | 2-(11-{2-[BENZENESULFONYL-(3-METHYL-BUTYL)-AMINO]-1-HYDROXY-ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-8-YL)-ACETAMIDE | | Definition date: | 2005-03-08 | | Last modified: | 2020-05-27 | | Identifier: | 2-[(8S,11S)-11-{(1R)-1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide |
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 | | HKS | | Name: | 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine | | Formula: | C12 H16 N2 O6 S | | SMILES: | C(O)(C(N)Cc1cc(SCC(N)C(O)=O)c(c(c1)O)O)=O | | InChi: | InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m0/s1 | | Synonyms: | 5-cysteinyl-3,4-dihydroxyphenylalanine | | Definition date: | 2018-07-10 | | Last modified: | 2020-05-27 | | Release date: | 2019-05-22 | | Identifier: | 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine |
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 | | HMT | | Name: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | | Formula: | C29 H39 N O9 | | SMILES: | O=C(OC)CC(O)(C(=O)OC5C(OC)=CC41N(CCC1)CCc3c(cc2OCOc2c3)C45)CCCC(O)(C)C | | InChi: | InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1 | | Synonyms: | Homoharringtonine | | Definition date: | 2009-02-16 | | Last modified: | 2020-05-27 | | Identifier: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine |
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 | | HYG | | Name: | HYGROMYCIN B | | Formula: | C20 H37 N3 O13 | | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1 | | Synonyms: | HYGROMIX | | Definition date: | 2000-12-15 | | Last modified: | 2020-05-27 | | Identifier: | (2R,3'R,3aR,4S,4'R,5'R,6R,6'S,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
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 | | WM1 | | Name: | pyridine-2-carboxamide | | Formula: | C6 H6 N2 O | | SMILES: | O=C(N)c1ncccc1 | | InChi: | InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9) | | Synonyms: | Picolinamide | | Definition date: | 2013-10-16 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-12 | | Identifier: | pyridine-2-carboxamide |
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 | | 3ZP | | Name: | 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal | | Formula: | C45 H75 N O17 | | SMILES: | O=C4C=CC(=CC(COC1OC(C(O)C(O)C1OC)C)C(OC(=O)CC(O)C(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3O)C(CC=O)CC4C)CC)C | | InChi: | InChI=1S/C45H75NO17/c1-12-32-29(21-57-44-41(56-11)38(53)36(51)25(5)59-44)17-22(2)13-14-30(48)23(3)18-28(15-16-47)39(24(4)31(49)19-33(50)61-32)63-43-37(52)35(46(9)10)40(26(6)60-43)62-34-20-45(8,55)42(54)27(7)58-34/h13-14,16-17,23-29,31-32,34-44,49,51-55H,12,15,18-21H2,1-11H3/b14-13+,22-17+/t23-,24+,25-,26-,27+,28+,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-/m1/s1 | | Synonyms: | Macrocin | | Definition date: | 2014-12-17 | | Last modified: | 2020-05-26 | | Release date: | 2015-03-11 | | Identifier: | [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside |
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 | | YMP | | Name: | O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE | | Formula: | C19 H24 N7 O8 P | | SMILES: | O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4 | | InChi: | InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H2,21,22,23)(H2,25,30,31,32)/t11-,12+,14+,15+,19+/m0/s1 | | Synonyms: | TYROSYL-ADENYLATE ANALOGUE | | Definition date: | 2006-05-02 | | Last modified: | 2020-05-26 | | Identifier: | 5'-O-[(S)-hydroxy(L-tyrosylamino)phosphoryl]adenosine |
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 | | VJK | | Name: | (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide | | Formula: | C18 H19 F3 N6 O | | SMILES: | C(C(Nc1ccnc(n1)c2cnc3c2cccn3)(C)C(NCC(F)(F)F)=O)C | | InChi: | InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | | Synonyms: | Decernotinib | | Definition date: | 2015-03-20 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-12 | | Identifier: | N~2~-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-D-isovalinamide |
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 | | XTS | | Name: | 9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE | | Formula: | C10 H12 N4 O6 | | SMILES: | O=C3Nc1c(ncn1C2OC(C(O)C2O)CO)C(=O)N3 | | InChi: | InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9+/m1/s1 | | Synonyms: | XANTHOSINE | | Definition date: | 2007-03-02 | | Last modified: | 2020-05-26 | | Identifier: | xanthosine |
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 | | VM1 | | Name: | 5-(2-thienyl)nicotinic acid | | Formula: | C10 H7 N O2 S | | SMILES: | O=C(O)c2cncc(c1sccc1)c2 | | InChi: | InChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13) | | Synonyms: | 5-thiophen-2-ylpyridine-3-carboxylic acid | | Definition date: | 2009-09-18 | | Last modified: | 2020-05-26 | | Identifier: | 5-(thiophen-2-yl)pyridine-3-carboxylic acid |
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 | | URP | | Name: | N-(AMINOCARBONYL)-BETA-ALANINE | | Formula: | C4 H8 N2 O3 | | SMILES: | O=C(O)CCNC(=O)N | | InChi: | InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) | | Synonyms: | N-CARBAMYL-BETA-ALANINE | | Definition date: | 2006-02-06 | | Last modified: | 2020-05-26 | | Identifier: | N-carbamoyl-beta-alanine |
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 | | 0PY | | Name: | pyridine | | Formula: | C5 H5 N | | SMILES: | n1ccccc1 | | InChi: | InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H | | Synonyms: | Azabenzene | | Definition date: | 2009-04-09 | | Last modified: | 2020-05-26 | | Identifier: | pyridine |
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 | | 70E | | Name: | 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose | | Formula: | C42 H82 O8 | | SMILES: | C(OCC1C(C(C(C(O)O1)O)O)O)(C(C(O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC)=O | | InChi: | InChI=1S/C42H82O8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-36(43)35(32-30-28-26-24-22-16-14-12-10-8-6-4-2)41(47)49-34-37-38(44)39(45)40(46)42(48)50-37/h35-40,42-46,48H,3-34H2,1-2H3/t35-,36-,37+,38-,39+,40-,42-/m1/s1 | | Synonyms: | C36 GLUCOSE MONOMYCOLATE | | Definition date: | 2016-08-04 | | Last modified: | 2020-05-26 | | Release date: | 2016-11-16 | | Identifier: | 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose |
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 | | 72B | | Name: | [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium | | Formula: | C27 H29 F N5 O3 Ru S4 | | SMILES: | O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(OC)ccc4n5[Ru]798(NCS)S6CCS8CC(NC)CS7CC6 | | InChi: | InChI=1S/C18H10FN3O3.C8H17NS3.CH4NS.Ru/c1-25-8-2-3-11-9(5-8)12-14-13(17(23)22-18(14)24)10-4-7(19)6-20-15(10)16(12)21-11 | | Synonyms: | (3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(N-methyl-1,4,7-trithiacyclodecan-9-amine)ruthenium(II)-isothiocyanate | | Definition date: | 2014-12-21 | | Last modified: | 2020-05-26 | | Release date: | 2015-01-21 | | Identifier: | [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium |
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 | | 794 | | Name: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | | Formula: | C19 H13 N O5 | | SMILES: | O=C(N(c2c1ccccc1ccc2)c3ccccc3C(=O)O)C(=O)O | | InChi: | InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25) | | Synonyms: | COMPOUND 5 | | Definition date: | 2003-01-30 | | Last modified: | 2020-05-26 | | Identifier: | 2-[(carboxycarbonyl)(naphthalen-1-yl)amino]benzoic acid |
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 | | 53Q | | Name: | Clomifene | | Formula: | C26 H28 Cl N O | | SMILES: | C(Oc1ccc(cc1)C(=C(/c2ccccc2)Cl)c3ccccc3)CN(CC)CC | | InChi: | InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+ | | Synonyms: | 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene | | Definition date: | 2015-07-22 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-19 | | Identifier: | 2-{4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy}-N,N-diethylethan-1-amine |
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 | | 55B | | Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol | | Formula: | C11 H14 O4 | | SMILES: | COc1cc(cc(c1O)OC)C=CCO | | InChi: | InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ | | Synonyms: | Sinapyl alcohol | | Definition date: | 2015-07-27 | | Last modified: | 2020-05-26 | | Release date: | 2015-09-16 | | Identifier: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol |
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 | | 5BX | | Name: | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one | | Formula: | C14 H15 N3 O2 | | SMILES: | CNC=1OC(C(N=1)=O)C(c2c3c(nc2)cccc3)C | | InChi: | InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1 | | Synonyms: | Indolemycin | | Definition date: | 2015-09-03 | | Last modified: | 2020-05-26 | | Release date: | 2015-11-18 | | Identifier: | (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one |
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