 | | L7U | | Name: | ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide | | Formula: | C26 H37 N3 O3 S2 | | SMILES: | COc1ccc2cc(ccc2c1)[CH](C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C | | InChi: | InChI=1S/C26H37N3O3S2/c1-19(21-5-6-23-18-24(32-4)8-7-22(23)17-21)26(31)29-12-9-20(10-13-29)25(30)27-11-15-33-34-16-14-28(2)3/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)/t19-/m1/s1 | | Definition date: | 2022-06-20 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide |
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 | | LKV | | Name: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid | | Formula: | C16 H20 N2 O4 | | SMILES: | CC(C)[CH](N1Cc2ccccc2C1=O)C(=O)N[CH](C)C(O)=O | | InChi: | InChI=1S/C16H20N2O4/c1-9(2)13(14(19)17-10(3)16(21)22)18-8-11-6-4-5-7-12(11)15(18)20/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,21,22)/t10-,13-/m0/s1 | | Definition date: | 2022-07-06 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid |
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 | | LL6 | | Name: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid | | Formula: | C20 H20 N2 O4 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O | | InChi: | InChI=1S/C20H20N2O4/c1-13(20(25)26)21-18(23)17(11-14-7-3-2-4-8-14)22-12-15-9-5-6-10-16(15)19(22)24/h2-10,13,17H,11-12H2,1H3,(H,21,23)(H,25,26)/t13-,17-/m0/s1 | | Definition date: | 2022-07-06 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid |
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 | | LLV | | Name: | (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid | | Formula: | C28 H24 Br F N2 O5 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4cc(Br)ccc4C3=O)C(O)=O | | InChi: | InChI=1S/C28H24BrFN2O5/c1-15(28(36)37)31-26(34)25(32-14-20-12-21(29)8-9-22(20)27(32)35)11-17-3-5-18(6-4-17)23-13-19(16(2)33)7-10-24(23)30/h3-10,12-13,15,25H,11,14H2,1-2H3,(H,31,34)(H,36,37)/t15-,25-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-2-(6-bromanyl-3-oxidanylidene-1~{H}-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid |
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 | | LN2 | | Name: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid | | Formula: | C28 H25 F N2 O5 | | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4ccccc4C3=O)C(O)=O | | InChi: | InChI=1S/C28H25FN2O5/c1-16(28(35)36)30-26(33)25(31-15-21-5-3-4-6-22(21)27(31)34)13-18-7-9-19(10-8-18)23-14-20(17(2)32)11-12-24(23)29/h3-12,14,16,25H,13,15H2,1-2H3,(H,30,33)(H,35,36)/t16-,25-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid |
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 | | LRA | | Name: | (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one | | Formula: | C16 H11 Br O4 | | SMILES: | Oc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O | | InChi: | InChI=1S/C16H11BrO4/c17-11-6-4-9(5-7-11)13-14(19)16(20)21-15(13)10-2-1-3-12(18)8-10/h1-8,15,18-19H/t15-/m1/s1 | | Definition date: | 2022-07-11 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{R})-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2~{H}-furan-5-one |
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 | | G1I | | Name: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol | | Formula: | C11 H15 N O3 | | SMILES: | CN[CH]1CCc2c(O)c(O)ccc2[CH]1O | | InChi: | InChI=1S/C11H15NO3/c1-12-8-4-2-7-6(10(8)14)3-5-9(13)11(7)15/h3,5,8,10,12-15H,2,4H2,1H3/t8-,10-/m1/s1 | | Definition date: | 2022-05-02 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (5~{R},6~{R})-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
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 | | GJ6 | | Name: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol | | Formula: | C13 H19 N O3 | | SMILES: | CC(C)N[CH]1CCc2c(O)c(O)ccc2[CH]1O | | InChi: | InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1 | | Definition date: | 2022-05-13 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (5~{R},6~{R})-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
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 | | GO4 | | Name: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide | | Formula: | C28 H25 F N6 O2 | | SMILES: | C[CH](NC(=O)c1cn(C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F)c6 | | InChi: | InChI=1S/C28H25FN6O2/c1-16(18-4-3-5-21(29)12-18)30-27(37)23-15-34(2)24-9-8-19(13-22(23)24)20-10-11-35-25(14-20)31-28(33-35)32-26(36)17-6-7-17/h3-5,8-17H,6-7H2,1-2H3,(H,30,37)(H,32,33,36)/t16-/m0/s1 | | Definition date: | 2022-05-16 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-~{N}-[(1~{S})-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide |
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 | | 2IV | | Name: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | | Formula: | C16 H16 F N3 O2 | | SMILES: | Fc1cccc2[nH]cc(C[CH]3NC(=O)[CH]4CCCN4C3=O)c12 | | InChi: | InChI=1S/C16H16FN3O2/c17-10-3-1-4-11-14(10)9(8-18-11)7-12-16(22)20-6-2-5-13(20)15(21)19-12/h1,3-4,8,12-13,18H,2,5-7H2,(H,19,21)/t12-,13-/m0/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | IAT | | Name: | [4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C26 H21 N3 O6 S | | SMILES: | Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(cc4)n5cncn5)c6ccc(O)cc6 | | InChi: | InChI=1S/C26H21N3O6S/c30-19-7-1-16(2-8-19)24-22-13-23(26(34-22)25(24)17-3-9-20(31)10-4-17)36(32,33)35-21-11-5-18(6-12-21)29-15-27-14-28-29/h1-12,14-15,22-23,26,30-31H,13H2/t22-,23+,26+/m0/s1 | | Definition date: | 2022-06-24 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | IC7 | | Name: | [4-(trifluoromethyl)phenyl] (1~{S},2~{R},4~{S})-5-(4-hydroxyphenyl)-6-[4-(1,2,4-triazol-1-yl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-sulfonate | | Formula: | C27 H20 F3 N3 O5 S | | SMILES: | Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(cc4)C(F)(F)F)c5ccc(cc5)n6cncn6 | | InChi: | InChI=1S/C27H20F3N3O5S/c28-27(29,30)18-5-11-21(12-6-18)38-39(35,36)23-13-22-24(16-3-9-20(34)10-4-16)25(26(23)37-22)17-1-7-19(8-2-17)33-15-31-14-32-33/h1-12,14-15,22-23,26,34H,13H2/t22-,23+,26+/m0/s1 | | Definition date: | 2022-06-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-(trifluoromethyl)phenyl] (1~{S},2~{R},4~{S})-5-(4-hydroxyphenyl)-6-[4-(1,2,4-triazol-1-yl)phenyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | IRX | | Name: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide | | Formula: | C19 H23 N3 O3 | | SMILES: | Cc1oc(nc1C(=O)NCCN2CCCCCC2=O)c3ccccc3 | | InChi: | InChI=1S/C19H23N3O3/c1-14-17(21-19(25-14)15-8-4-2-5-9-15)18(24)20-11-13-22-12-7-3-6-10-16(22)23/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,20,24) | | Definition date: | 2022-07-14 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 5-methyl-~{N}-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide |
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 | | IWE | | Name: | Azosemide | | Formula: | C12 H11 Cl N6 O2 S2 | | SMILES: | N[S](=O)(=O)c1cc(c(NCc2sccc2)cc1Cl)c3[nH]nnn3 | | InChi: | InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19) | | Synonyms: | 2-chloranyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide | | Definition date: | 2022-04-14 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-chloranyl-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide |
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 | | IWJ | | Name: | (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one | | Formula: | C40 H56 O4 | | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C(=O)C[C]1(O)C(=C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C | | InChi: | InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-23,34-36,41-42,44H,6,24-27H2,1-5,7-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t34-,35+,36-,40+/m0/s1 | | Synonyms: | Prasinoxanthin | | Definition date: | 2022-07-21 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one |
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 | | JH9 | | Name: | [4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C27 H27 F2 N2 O6 P | | SMILES: | O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F)c(CC=C)c3)cc1 | | InChi: | InChI=1S/C27H27F2N2O6P/c1-2-3-21-14-20(8-13-24(21)29)17-30-27(33)25(31-26(32)16-19-4-9-22(28)10-5-19)15-18-6-11-23(12-7-18)37-38(34,35)36/h2,4-14,25H,1,3,15-17H2,(H,30,33)(H,31,32)(H2,34,35,36)/t25-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JHR | | Name: | [4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C24 H23 F2 N2 O6 P | | SMILES: | O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F)cc3)cc1 | | InChi: | InChI=1S/C24H23F2N2O6P/c25-19-7-1-17(2-8-19)14-23(29)28-22(24(30)27-15-18-3-9-20(26)10-4-18)13-16-5-11-21(12-6-16)34-35(31,32)33/h1-12,22H,13-15H2,(H,27,30)(H,28,29)(H2,31,32,33)/t22-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JI0 | | Name: | [4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C26 H27 F2 N2 O6 P | | SMILES: | CCc1cc(CNC(=O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3)ccc1F | | InChi: | InChI=1S/C26H27F2N2O6P/c1-2-20-13-19(7-12-23(20)28)16-29-26(32)24(30-25(31)15-18-3-8-21(27)9-4-18)14-17-5-10-22(11-6-17)36-37(33,34)35/h3-13,24H,2,14-16H2,1H3,(H,29,32)(H,30,31)(H2,33,34,35)/t24-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JI9 | | Name: | [4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C25 H25 F2 N2 O6 P | | SMILES: | Cc1cc(CNC(=O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3)ccc1F | | InChi: | InChI=1S/C25H25F2N2O6P/c1-16-12-19(6-11-22(16)27)15-28-25(31)23(29-24(30)14-18-2-7-20(26)8-3-18)13-17-4-9-21(10-5-17)35-36(32,33)34/h2-12,23H,13-15H2,1H3,(H,28,31)(H,29,30)(H2,32,33,34)/t23-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JIH | | Name: | [4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate | | Formula: | C26 H26 Cl F N3 O7 P | | SMILES: | O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3cccc(NC(=O)CCl)c3)cc1 | | InChi: | InChI=1S/C26H26ClFN3O7P/c27-15-25(33)30-21-3-1-2-19(12-21)16-29-26(34)23(31-24(32)14-18-4-8-20(28)9-5-18)13-17-6-10-22(11-7-17)38-39(35,36)37/h1-12,23H,13-16H2,(H,29,34)(H,30,33)(H,31,32)(H2,35,36,37)/t23-/m0/s1 | | Definition date: | 2022-04-27 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
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 | | JIZ | | Name: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione | | Formula: | C18 H18 N6 O3 S4 | | SMILES: | C[CH]1NC(=O)c2csc(n2)[CH](C)NC(=O)c3csc(n3)[CH](CS)NC(=O)c4csc1n4 | | InChi: | InChI=1S/C18H18N6O3S4/c1-7-16-22-10(4-29-16)13(25)19-8(2)17-23-12(5-30-17)15(27)21-9(3-28)18-24-11(6-31-18)14(26)20-7/h4-9,28H,3H2,1-2H3,(H,19,25)(H,20,26)(H,21,27)/t7-,8-,9-/m0/s1 | | Definition date: | 2022-04-28 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
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 | | JJI | | Name: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione | | Formula: | C24 H20 N8 O7 S5 | | SMILES: | C[CH]1NC(=O)c2csc(n2)[CH](CSSc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)NC(=O)c4csc(n4)[CH](C)NC(=O)c5csc1n5 | | InChi: | InChI=1S/C24H20N8O7S5/c1-10-22-28-13(6-40-22)19(33)25-11(2)23-29-15(7-41-23)21(35)27-16(24-30-14(8-42-24)20(34)26-10)9-43-44-18-4-3-12(31(36)37)5-17(18)32(38)39/h3-8,10-11,16H,9H2,1-2H3,(H,25,33)(H,26,34)(H,27,35)/t10-,11-,16-/m0/s1 | | Definition date: | 2022-04-28 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (4~{S},11~{S},18~{S})-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
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 | | IHT | | Name: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol | | Formula: | C40 H54 O | | 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)CCCC2(C)C | | InChi: | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23,25,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 | | Synonyms: | Allobetaxanthin | | Definition date: | 2022-07-01 | | Last modified: | 2023-04-19 | | Release date: | 2023-04-12 | | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol |
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 | | II0 | | Name: | (1~{R})-3,5,5-trimethyl-4-[(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-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol | | Formula: | C40 H52 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/C40H52O2/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/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 | | Synonyms: | Alloxanthin | | Definition date: | 2022-07-01 | | Last modified: | 2023-04-19 | | Release date: | 2023-04-12 | | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(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-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol |
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 | | II3 | | Name: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-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=C[CH]2C(=C[CH](O)CC2(C)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/h11-21,23,25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1 | | Synonyms: | Monadoxanthin | | Definition date: | 2022-07-01 | | Last modified: | 2023-04-19 | | Release date: | 2023-04-12 | | Identifier: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol |
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