![NRJ NRJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NRJ.svg) | NRJ | Name: | methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | Formula: | C28 H28 Cl N5 O5 | SMILES: | c3cc(cc4NC(CCC=CCC(N1C(OC(CC1)c2cccc(Cl)c2)=O)c5nc(c34)cn5)=O)NC(OC)=O | InChi: | InChI=1S/C28H28ClN5O5/c1-38-27(36)31-19-10-11-20-21(15-19)32-25(35)9-4-2-3-8-23(26-30-16-22(20)33-26)34-13-12-24(39-28(34)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,23-24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,36)(H,32,35)/b3-2+/t23-,24+/m0/s1 | Definition date: | 2019-05-24 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
|
![E26 E26](https://data.pdbj.org/pdbjplus/data/cc/svg/E26.svg) | E26 | Name: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione | Formula: | C21 H27 N O6 | SMILES: | CCNc1cc(O)c2C(=O)O[CH](C)[CH](C)C=CC(=O)[CH](O)[CH](O)CC=Cc2c1 | InChi: | InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1 | Definition date: | 2018-10-30 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione |
|
![61P 61P](https://data.pdbj.org/pdbjplus/data/cc/svg/61P.svg) | 61P | Name: | 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name) | Formula: | C30 H30 N8 O2 | SMILES: | C(=NNC(C(N)Cc1nc2c(c1)cccc2)=O)c3cc(ccc3)[C@H]=NNC(=O)C(N)Cc4cnc5c4cccc5 | InChi: | InChI=1S/C30H30N8O2/c31-25(14-22-18-33-28-11-4-2-9-24(22)28)29(39)37-34-16-19-6-5-7-20(12-19)17-35-38-30(40)26(32)15-23-13-21-8-1-3-10-27(21)36-23/h1-13,16-18,25-26,33,36H,14-15,31-32H2,(H,37,39)(H,38,40)/b34-16+,35-17?/t25-,26?/m0/s1 | Definition date: | 2016-01-13 | Last modified: | 2019-09-04 | Release date: | 2016-07-20 | Identifier: | 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name) |
|
![C3R C3R](https://data.pdbj.org/pdbjplus/data/cc/svg/C3R.svg) | C3R | Name: | Carolacton | Formula: | C25 H40 O8 | SMILES: | CO[CH](CC(O)=O)[CH](C)C(=O)[CH](C)C=C(C)[CH]1OC(=O)[CH](O)[CH](O)C=C[CH](C)CCC[CH]1C | InChi: | InChI=1S/C25H40O8/c1-14-8-7-9-15(2)24(33-25(31)23(30)19(26)11-10-14)17(4)12-16(3)22(29)18(5)20(32-6)13-21(27)28/h10-12,14-16,18-20,23-24,26,30H,7-9,13H2,1-6H3,(H,27,28)/b11-10+,17-12+/t14-,15+,16-,18-,19-,20-,23-,24+/m1/s1 | Definition date: | 2017-05-19 | Last modified: | 2019-09-04 | Release date: | 2018-02-28 | Identifier: | (~{E},3~{R},4~{R},6~{R})-8-[(2~{S},3~{S},7~{R},8~{E},10~{R},11~{R})-3,7-dimethyl-10,11-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxidanylidene-non-7-enoic acid |
|
![DJ3 DJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/DJ3.svg) | DJ3 | Name: | 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid | Formula: | C20 H30 O3 | SMILES: | CCCCCC=CCC=CC=CC=C[CH]1O[CH]1CCCC(O)=O | InChi: | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1 | Definition date: | 2017-03-23 | Last modified: | 2019-09-04 | Release date: | 2017-08-23 | Identifier: | 4-[(2~{S},3~{S})-3-[(1~{E},3~{E},5~{Z},8~{Z})-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoic acid |
|
![K3Z K3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/K3Z.svg) | K3Z | Name: | (E)-3-(4-methoxyphenyl)acrylic acid | Formula: | C10 H10 O3 | SMILES: | COc1ccc(C=CC(O)=O)cc1 | InChi: | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ | Definition date: | 2019-04-17 | Last modified: | 2019-08-30 | Release date: | 2019-09-04 | Identifier: | (~{E})-3-(4-methoxyphenyl)prop-2-enoic acid |
|
![MFJ MFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/MFJ.svg) | MFJ | Name: | [(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid | Formula: | C23 H29 O4 P | SMILES: | c1ccc2c(cccc2c1)C(OCC=[C@H]/C=CCC/C=CCCC)P(=O)(O)O | InChi: | InChI=1S/C23H29O4P/c1-2-3-4-5-6-7-8-9-10-13-19-27-23(28(24,25)26)22-18-14-16-20-15-11-12-17-21(20)22/h4-5,8-18,23H,2-3,6-7,19H2,1H3,(H2,24,25,26)/b5-4-,9-8-,13-10+/t23-/m1/s1 | Definition date: | 2019-03-29 | Last modified: | 2019-08-30 | Release date: | 2019-09-04 | Identifier: | [(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid |
|
![NQM NQM](https://data.pdbj.org/pdbjplus/data/cc/svg/NQM.svg) | NQM | Name: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid | Formula: | C7 H6 O7 | SMILES: | O=C(C(CC(=C/C(O)=O)C(O)=O)=O)O | InChi: | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+ | Definition date: | 2019-05-24 | Last modified: | 2019-07-26 | Release date: | 2019-07-31 | Identifier: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid |
|
![FKW FKW](https://data.pdbj.org/pdbjplus/data/cc/svg/FKW.svg) | FKW | Name: | 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide | Formula: | C17 H14 N4 O4 | SMILES: | Oc1cc(ccc1[N+]([O-])=O)C=NNC(=O)Cc2c[nH]c3ccccc23 | InChi: | InChI=1S/C17H14N4O4/c22-16-7-11(5-6-15(16)21(24)25)9-19-20-17(23)8-12-10-18-14-4-2-1-3-13(12)14/h1-7,9-10,18,22H,8H2,(H,20,23)/b19-9+ | Definition date: | 2018-07-18 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide |
|
![B0L B0L](https://data.pdbj.org/pdbjplus/data/cc/svg/B0L.svg) | B0L | Name: | 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one | Formula: | C22 H25 N O3 | SMILES: | c1ccccc1C=2C(=C(C(C(C)CCCC=[C@H]C=[C@H]C)=O)C(=O)NC=2)O | InChi: | InChI=1S/C22H25NO3/c1-3-4-5-6-7-9-12-16(2)20(24)19-21(25)18(15-23-22(19)26)17-13-10-8-11-14-17/h3-6,8,10-11,13-16H,7,9,12H2,1-2H3,(H2,23,25,26)/b4-3+,6-5+/t16-/m0/s1 | Definition date: | 2018-12-21 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one |
|
![B0O B0O](https://data.pdbj.org/pdbjplus/data/cc/svg/B0O.svg) | B0O | Name: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one | Formula: | C22 H25 N O2 | SMILES: | C2(=O)C=1C4C(C(C=CC)OC=1C(=CN2)c3ccccc3)CCCC4C | InChi: | InChI=1S/C22H25NO2/c1-3-8-18-16-12-7-9-14(2)19(16)20-21(25-18)17(13-23-22(20)24)15-10-5-4-6-11-15/h3-6,8,10-11,13-14,16,18-19H,7,9,12H2,1-2H3,(H,23,24)/b8-3+/t14-,16+,18+,19+/m0/s1 | Definition date: | 2018-12-21 | Last modified: | 2019-07-12 | Release date: | 2019-07-17 | Identifier: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one |
|
![PD9 PD9](https://data.pdbj.org/pdbjplus/data/cc/svg/PD9.svg) | PD9 | Name: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide | Formula: | C14 H15 N3 O5 | SMILES: | CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N | InChi: | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ | Definition date: | 2015-10-30 | Last modified: | 2019-07-05 | Release date: | 2019-07-10 | Identifier: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide |
|
![KFY KFY](https://data.pdbj.org/pdbjplus/data/cc/svg/KFY.svg) | KFY | Name: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine | Formula: | C19 H23 N5 O3 | SMILES: | c12ncnc(c1nc(n2CC=CC)Cc3cc(OC)c(OC)c(c3)OC)N | InChi: | InChI=1S/C19H23N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h5-6,8-9,11H,7,10H2,1-4H3,(H2,20,21,22)/b6-5+ | Definition date: | 2018-12-03 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine |
|
![CV9 CV9](https://data.pdbj.org/pdbjplus/data/cc/svg/CV9.svg) | CV9 | Name: | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one | Formula: | C49 H71 N O12 | SMILES: | CO[CH]1C[CH](O)C=CC=CC=C[CH](C)[CH](OC(=O)C=CC=CC=CC(=C[CH](C)[CH](O[CH]2O[CH](C)[CH](O)[CH](OC)[CH]2OC)C=CC=Cc3coc(n3)[CH]1C)C)[CH](C)[CH](O)C[CH](C)O | InChi: | InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19-,24-17+,25-20+,26-18-,31-27+/t32-,33+,34-,35-,36+,37+,39+,40-,41-,42+,44+,45+,46-,47+,49-/m0/s1 | Definition date: | 2019-02-19 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one |
|
![N9V N9V](https://data.pdbj.org/pdbjplus/data/cc/svg/N9V.svg) | N9V | Name: | 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) | Formula: | C26 H40 N7 O19 P3 S | SMILES: | CCC(C(O)=O)C(SCCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O)OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O)O)(C)C)=O)=O)=O | InChi: | InChI=1S/C26H40N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h5-6,11-14,17-19,23,35-36H,4,7-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b6-5+/t13-,14+,17+,18+,19-,23+/m0/s1 | Definition date: | 2019-05-10 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) |
|
![EH2 EH2](https://data.pdbj.org/pdbjplus/data/cc/svg/EH2.svg) | EH2 | Name: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid | Formula: | C13 H10 O2 S | SMILES: | OC(=O)c1ccccc1C=Cc2sccc2 | InChi: | InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+ | Definition date: | 2018-03-22 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid |
|
![B8C B8C](https://data.pdbj.org/pdbjplus/data/cc/svg/B8C.svg) | B8C | Name: | (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid | Formula: | C21 H25 N4 O15 P | SMILES: | Cc1cc2N[C]3(OC(C(O)=O)=C(O)C(O)=O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | InChi: | InChI=1S/C21H25N4O15P/c1-7-3-9-10(4-8(7)2)25(5-11(26)13(28)12(27)6-39-41(36,37)38)18-21(24-9,19(34)23-20(35)22-18)40-15(17(32)33)14(29)16(30)31/h3-4,11-13,24,26-29H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,23,34,35)(H2,36,37,38)/b15-14+/t11-,12-,13-,21-/m0/s1 | Definition date: | 2019-01-21 | Last modified: | 2019-06-14 | Release date: | 2019-06-19 | Identifier: | (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid |
|
![9P3 9P3](https://data.pdbj.org/pdbjplus/data/cc/svg/9P3.svg) | 9P3 | Name: | 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol | Formula: | C19 H24 N4 O11 P | SMILES: | C2=4N(c1cc(C)c(C)cc1[N+]3(C2(O3)C(=O)NC(N=4)=O)C(C)=O)CC(C(C(O)COP(O)(O)=O)O)O | InChi: | InChI=1S/C19H23N4O11P/c1-8-4-11-12(5-9(8)2)23(10(3)24)19(34-23)16(20-18(29)21-17(19)28)22(11)6-13(25)15(27)14(26)7-33-35(30,31)32/h4-5,13-15,25-27H,6-7H2,1-3H3,(H2-,21,28,29,30,31,32)/p+1/t13-,14+,15-,19+,23+/m0/s1 | Definition date: | 2018-06-15 | Last modified: | 2019-06-14 | Release date: | 2019-06-19 | Identifier: | 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol |
|
![7YC 7YC](https://data.pdbj.org/pdbjplus/data/cc/svg/7YC.svg) | 7YC | Name: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile | Formula: | C14 H13 N3 O6 | SMILES: | Oc1cc(C=C(C#N)C(=O)N2CCCOC2)cc(c1O)[N+]([O-])=O | InChi: | InChI=1S/C14H13N3O6/c15-7-10(14(20)16-2-1-3-23-8-16)4-9-5-11(17(21)22)13(19)12(18)6-9/h4-6,18-19H,1-3,8H2/b10-4+ | Definition date: | 2017-02-09 | Last modified: | 2019-06-14 | Release date: | 2019-06-19 | Identifier: | (~{E})-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile |
|
![UCZ UCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/UCZ.svg) | UCZ | Name: | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol | Formula: | C15 H18 Cl N3 O | SMILES: | CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc(cc2)Cl)O | InChi: | InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1 | Definition date: | 2018-06-13 | Last modified: | 2019-06-07 | Release date: | 2019-06-12 | Identifier: | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol |
|
![A0R A0R](https://data.pdbj.org/pdbjplus/data/cc/svg/A0R.svg) | A0R | Name: | 2',4'-dihydroxy-2-methoxychalcone | Formula: | C16 H14 O4 | SMILES: | COc1ccccc1C=CC(=O)c2ccc(O)cc2O | InChi: | InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+ | Definition date: | 2018-09-12 | Last modified: | 2019-06-07 | Release date: | 2019-06-12 | Identifier: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one |
|
![6R2 6R2](https://data.pdbj.org/pdbjplus/data/cc/svg/6R2.svg) | 6R2 | Name: | [bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid | Formula: | C16 H28 Cl2 O6 P2 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O | InChi: | InChI=1S/C16H28Cl2O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-26(22,23)16(17,18)25(19,20)21/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,22,23)(H2,19,20,21)/b14-9+,15-11+ | Definition date: | 2016-06-21 | Last modified: | 2019-06-07 | Release date: | 2019-06-12 | Identifier: | [bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid |
|
![9FX 9FX](https://data.pdbj.org/pdbjplus/data/cc/svg/9FX.svg) | 9FX | Name: | 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide | Formula: | C16 H11 F N4 O2 S | SMILES: | c1(ncccn1)Sc2oc(cc2)C=NNC(c3cccc(c3)F)=O | InChi: | InChI=1S/C16H11FN4O2S/c17-12-4-1-3-11(9-12)15(22)21-20-10-13-5-6-14(23-13)24-16-18-7-2-8-19-16/h1-10H,(H,21,22)/b20-10+ | Definition date: | 2018-04-11 | Last modified: | 2019-05-30 | Release date: | 2019-06-05 | Identifier: | 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide |
|
![YYZ YYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YYZ.svg) | YYZ | Name: | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid | Formula: | C9 H6 Cl2 O3 | SMILES: | C([C@H]=Cc1cc(Cl)c(O)c(c1)Cl)(O)=O | InChi: | InChI=1S/C9H6Cl2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)/b2-1+ | Definition date: | 2018-09-18 | Last modified: | 2019-05-24 | Release date: | 2019-05-29 | Identifier: | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid |
|
![YAZ YAZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YAZ.svg) | YAZ | Name: | (2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid | Formula: | C9 H7 Cl O3 | SMILES: | C(=O)(O)C=Cc1cc(Cl)c(cc1)O | InChi: | InChI=1S/C9H7ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+ | Definition date: | 2018-09-19 | Last modified: | 2019-05-24 | Release date: | 2019-05-29 | Identifier: | (2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid |
|