![QK9 QK9](https://data.pdbj.org/pdbjplus/data/cc/svg/QK9.svg) | QK9 | Name: | 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene | Formula: | C13 H8 Br F2 N5 | SMILES: | FC(F)c1ncn2c1Cn3ncnc3c4cc(Br)ccc24 | InChi: | InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2 | Definition date: | 2022-11-08 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene |
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![QKF QKF](https://data.pdbj.org/pdbjplus/data/cc/svg/QKF.svg) | QKF | Name: | [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone | Formula: | C21 H22 N4 O5 S | SMILES: | Cc1onc(c1COc2ccc(cn2)C(=O)N3CC[S](=O)(=O)CC3)c4ccc(C)nc4 | InChi: | InChI=1S/C21H22N4O5S/c1-14-3-4-16(11-22-14)20-18(15(2)30-24-20)13-29-19-6-5-17(12-23-19)21(26)25-7-9-31(27,28)10-8-25/h3-6,11-12H,7-10,13H2,1-2H3 | Definition date: | 2022-11-08 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone |
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![QM7 QM7](https://data.pdbj.org/pdbjplus/data/cc/svg/QM7.svg) | QM7 | Name: | 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide | Formula: | C22 H26 N4 O4 | SMILES: | CCC[CH](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1 | InChi: | InChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1 | Definition date: | 2022-11-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide |
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![QMJ QMJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QMJ.svg) | QMJ | Name: | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | Formula: | C18 H19 N3 O4 | SMILES: | CCOC(=O)c1ncn2c3ccc(OC)cc3C(=O)N4CCC[CH]4c12 | InChi: | InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1 | Definition date: | 2022-11-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
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![QR3 QR3](https://data.pdbj.org/pdbjplus/data/cc/svg/QR3.svg) | QR3 | Name: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one | Formula: | C21 H24 N6 O3 | SMILES: | Cc1onc(c1CN2N=CC(=CC2=O)N3CC4(CCCCO4)C3)c5ccc(C)nn5 | InChi: | InChI=1S/C21H24N6O3/c1-14-5-6-18(24-23-14)20-17(15(2)30-25-20)11-27-19(28)9-16(10-22-27)26-12-21(13-26)7-3-4-8-29-21/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3 | Definition date: | 2022-11-11 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one |
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![5A5 5A5](https://data.pdbj.org/pdbjplus/data/cc/svg/5A5.svg) | 5A5 | Name: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C14 H16 N2 O2 S | SMILES: | CC(C)c1ccc(Cc2sc(N)nc2C(O)=O)cc1 | InChi: | InChI=1S/C14H16N2O2S/c1-8(2)10-5-3-9(4-6-10)7-11-12(13(17)18)16-14(15)19-11/h3-6,8H,7H2,1-2H3,(H2,15,16)(H,17,18) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
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![5I6 5I6](https://data.pdbj.org/pdbjplus/data/cc/svg/5I6.svg) | 5I6 | Name: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C15 H16 N2 O3 S | SMILES: | Nc1sc(Cc2ccc(OCCC=C)cc2)c(n1)C(O)=O | InChi: | InChI=1S/C15H16N2O3S/c1-2-3-8-20-11-6-4-10(5-7-11)9-12-13(14(18)19)17-15(16)21-12/h2,4-7H,1,3,8-9H2,(H2,16,17)(H,18,19) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
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![5IY 5IY](https://data.pdbj.org/pdbjplus/data/cc/svg/5IY.svg) | 5IY | Name: | 2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid | Formula: | C8 H12 N2 O2 S | SMILES: | CC(C)Cc1sc(N)nc1C(O)=O | InChi: | InChI=1S/C8H12N2O2S/c1-4(2)3-5-6(7(11)12)10-8(9)13-5/h4H,3H2,1-2H3,(H2,9,10)(H,11,12) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid |
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![TJI TJI](https://data.pdbj.org/pdbjplus/data/cc/svg/TJI.svg) | TJI | Name: | ethyl 3-bromanyl-2-methyl-propanoate | Formula: | C6 H11 Br O2 | SMILES: | CCOC(=O)[CH](C)CBr | InChi: | InChI=1S/C6H11BrO2/c1-3-9-6(8)5(2)4-7/h5H,3-4H2,1-2H3/t5-/m0/s1 | Synonyms: | Ethyl 2-(bromomethyl)acrylate (precursor) | Definition date: | 2023-01-06 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | ethyl 3-bromanyl-2-methyl-propanoate |
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![UBL UBL](https://data.pdbj.org/pdbjplus/data/cc/svg/UBL.svg) | UBL | Name: | [(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate | Formula: | C21 H41 O7 P | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O | InChi: | InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1 | Definition date: | 2023-05-25 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] (~{Z})-octadec-9-enoate |
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![4YJ 4YJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4YJ.svg) | 4YJ | Name: | 2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C12 H12 N2 O3 S | SMILES: | COc1ccc(Cc2sc(N)nc2C(O)=O)cc1 | InChi: | InChI=1S/C12H12N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(11(15)16)14-12(13)18-9/h2-5H,6H2,1H3,(H2,13,14)(H,15,16) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
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![51I 51I](https://data.pdbj.org/pdbjplus/data/cc/svg/51I.svg) | 51I | Name: | 2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid | Formula: | C14 H16 N2 O2 S | SMILES: | CCCc1ccc(Cc2sc(N)nc2C(O)=O)cc1 | InChi: | InChI=1S/C14H16N2O2S/c1-2-3-9-4-6-10(7-5-9)8-11-12(13(17)18)16-14(15)19-11/h4-7H,2-3,8H2,1H3,(H2,15,16)(H,17,18) | Definition date: | 2023-01-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid |
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![VPI VPI](https://data.pdbj.org/pdbjplus/data/cc/svg/VPI.svg) | VPI | Name: | [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate | Formula: | C17 H34 N3 O8 P | SMILES: | CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C17H34N3O8P/c1-13(21)18-9-6-4-5-7-10-19-14(22)8-11-20-16(24)15(23)17(2,3)12-28-29(25,26)27/h15,23H,4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,24)(H2,25,26,27)/t15-/m0/s1 | Definition date: | 2023-08-02 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
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![VUT VUT](https://data.pdbj.org/pdbjplus/data/cc/svg/VUT.svg) | VUT | Name: | 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide | Formula: | C13 H8 Cl2 N2 O4 | SMILES: | Clc1cc(ccc1NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O | InChi: | InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19) | Synonyms: | Niclosamide | Definition date: | 2023-09-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide |
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![IS9 IS9](https://data.pdbj.org/pdbjplus/data/cc/svg/IS9.svg) | IS9 | Name: | dimethylcarbamodithioic acid | Formula: | C3 H7 N S2 | SMILES: | CN(C)C(S)=S | InChi: | InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6) | Definition date: | 2023-08-03 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | dimethylcarbamodithioic acid |
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![WSR WSR](https://data.pdbj.org/pdbjplus/data/cc/svg/WSR.svg) | WSR | Name: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) | Formula: | C25 H41 F O5 S | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O | InChi: | InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-10-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) |
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![WU5 WU5](https://data.pdbj.org/pdbjplus/data/cc/svg/WU5.svg) | WU5 | Name: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) | Formula: | C25 H41 F O2 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | InChi: | InChI=1S/C25H41FO2/c1-16(4-6-19(28)15-26)21-8-9-22-20-7-5-17-14-18(27)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-18,20-23,27H,4-15H2,1-3H3/t16-,17-,18-,20+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-10-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) |
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![WU9 WU9](https://data.pdbj.org/pdbjplus/data/cc/svg/WU9.svg) | WU9 | Name: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) | Formula: | C32 H51 F O4 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCCOCCOCC#C | InChi: | InChI=1S/C32H51FO4/c1-5-16-35-17-18-36-19-20-37-26-12-14-31(3)24(21-26)7-9-27-29-11-10-28(23(2)6-8-25(34)22-33)32(29,4)15-13-30(27)31/h1,23-24,26-30H,6-22H2,2-4H3/t23-,24-,26-,27+,28-,29+,30+,31+,32-/m1/s1 | Definition date: | 2022-10-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) |
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![K16 K16](https://data.pdbj.org/pdbjplus/data/cc/svg/K16.svg) | K16 | Name: | Cephaeline | Formula: | C28 H38 N2 O4 | SMILES: | CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(O)c(OC)cc45 | InChi: | InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1 | Synonyms: | (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol | Definition date: | 2023-08-10 | Last modified: | 2023-10-25 | Release date: | 2023-09-13 | Identifier: | (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |
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![IZS IZS](https://data.pdbj.org/pdbjplus/data/cc/svg/IZS.svg) | IZS | Name: | ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate | Formula: | C13 H21 N3 O2 | SMILES: | CCOC(=O)CN(C)c1nc(CC)cc(CC)n1 | InChi: | InChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3 | Definition date: | 2023-08-04 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate |
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![MFF MFF](https://data.pdbj.org/pdbjplus/data/cc/svg/MFF.svg) | MFF | Name: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate | Formula: | C29 H48 N2 O5 | SMILES: | COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC | InChi: | InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25+,26-,27+,28+/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
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![MI8 MI8](https://data.pdbj.org/pdbjplus/data/cc/svg/MI8.svg) | MI8 | Name: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate | Formula: | C29 H48 N2 O5 | SMILES: | COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC | InChi: | InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25-,26-,27+,28+/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
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![QBF QBF](https://data.pdbj.org/pdbjplus/data/cc/svg/QBF.svg) | QBF | Name: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol | Formula: | C11 H16 O4 | SMILES: | COc1cc(CCCO)cc(OC)c1O | InChi: | InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3 | Synonyms: | propanol syringol | Definition date: | 2022-10-18 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol |
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![AU9 AU9](https://data.pdbj.org/pdbjplus/data/cc/svg/AU9.svg) | AU9 | Name: | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid | Formula: | C27 H27 N3 O5 S | SMILES: | Cc1c(OCc2oc(SCc3cccc(CN[CH](CO)C(O)=O)c3)nn2)cccc1c4ccccc4 | InChi: | InChI=1S/C27H27N3O5S/c1-18-22(21-9-3-2-4-10-21)11-6-12-24(18)34-16-25-29-30-27(35-25)36-17-20-8-5-7-19(13-20)14-28-23(15-31)26(32)33/h2-13,23,28,31H,14-17H2,1H3,(H,32,33)/t23-/m0/s1 | Definition date: | 2023-05-17 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid |
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![ET4 ET4](https://data.pdbj.org/pdbjplus/data/cc/svg/ET4.svg) | ET4 | Name: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol | Formula: | C40 H54 O2 | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C#CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | InChi: | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 | Synonyms: | Diatoxanthin | Definition date: | 2023-06-15 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol |
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