 | | ENJ | | Name: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid | | Formula: | C12 H16 N O11 P S3 | | SMILES: | O=C(C1=CN(C=C(C=S)C1S(=O)(=O)O)C2OC(C(C2O)O)COP(O)(O)=O)S | | InChi: | InChI=1S/C12H16NO11PS3/c14-8-7(3-23-25(17,18)19)24-11(9(8)15)13-1-5(4-26)10(28(20,21)22)6(2-13)12(16)27/h1-2,4,7-11,14-15H,3H2,(H,16,27)(H2,17,18,19)(H,20,21,22)/t7-,8-,9-,10-,11-/m1/s1 | | Definition date: | 2018-01-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-03-14 | | Identifier: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid |
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 | | EPG | | Name: | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside | | Formula: | C9 H16 O7 | | SMILES: | O(CC1OC1)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1 | | Synonyms: | 2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL | | Definition date: | 2002-11-28 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside |
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 | | F1G | | Name: | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE | | Formula: | C10 H10 F3 N3 O S2 | | SMILES: | FC(F)(F)c1nn(c2sc(cc12)C(=O)NCCS)C | | InChi: | InChI=1S/C10H10F3N3OS2/c1-16-9-5(7(15-16)10(11,12)13)4-6(19-9)8(17)14-2-3-18/h4,18H,2-3H2,1H3,(H,14,17) | | Definition date: | 2006-01-20 | | Last modified: | 2024-09-27 | | Identifier: | 1-methyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide |
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 | | F2P | | Name: | 1,6-DI-O-PHOSPHONO-D-ALLITOL | | Formula: | C6 H16 O12 P2 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O | | InChi: | InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6+ | | Definition date: | 2004-09-27 | | Last modified: | 2024-09-27 | | Identifier: | 1,6-di-O-phosphono-D-allitol |
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 | | F62 | | Name: | N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | | Formula: | C29 H31 N7 O3 | | SMILES: | COc1cc(ccc1Nc2ncc3C(=CC(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)C)N5CCN(C)CC5 | | InChi: | InChI=1S/C29H31N7O3/c1-5-26(37)31-20-7-6-8-22(16-20)36-27(38)15-19(2)23-18-30-29(33-28(23)36)32-24-10-9-21(17-25(24)39-4)35-13-11-34(3)12-14-35/h5-10,15-18H,1,11-14H2,2-4H3,(H,31,37)(H,30,32,33) | | Definition date: | 2016-09-30 | | Last modified: | 2024-09-27 | | Release date: | 2017-06-28 | | Identifier: | ~{N}-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide |
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 | | F6R | | Name: | FRUCTOSE -6-PHOSPHATE | | Formula: | C6 H13 O9 P | | SMILES: | C(C(C(C(C(COP(O)(O)=O)O)O)O)=O)O | | InChi: | InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 | | Definition date: | 2005-02-21 | | Last modified: | 2024-09-27 | | Identifier: | 6-O-phosphono-D-fructose |
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 | | JP9 | | Name: | (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid | | Formula: | C6 H13 O11 P S | | SMILES: | OC(C(O)CS(=O)(=O)O)C(O)C(=O)COP(=O)(O)O | | InChi: | InChI=1S/C6H13O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h4-6,8-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t4-,5-,6-/m1/s1 | | Definition date: | 2023-08-08 | | Last modified: | 2024-09-16 | | Release date: | 2023-10-25 | | Identifier: | 6-deoxy-1-O-phosphono-6-sulfo-D-fructose |
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 | | W6U | | Name: | (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[4-[4-[4-[[3-oxidanylidene-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]-2-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butoxy]propanoylamino]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C55 H70 N12 O7 S | | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CCOCCCCN4CCN(CC4)c5ccc(Nc6ncc7C(=O)N(CC=C)N(c8cccc(n8)C(C)(C)O)c7n6)cc5)C(C)(C)C)cc2 | | InChi: | InChI=1S/C55H70N12O7S/c1-8-23-66-51(71)42-33-57-53(62-49(42)67(66)45-13-11-12-44(60-45)55(6,7)73)59-39-18-20-40(21-19-39)64-27-25-63(26-28-64)24-9-10-29-74-30-22-46(69)61-48(54(3,4)5)52(72)65-34-41(68)31-43(65)50(70)56-32-37-14-16-38(17-15-37)47-36(2)58-35-75-47/h8,11-21,33,35,41,43,48,68,73H,1,9-10,22-32,34H2,2-7H3,(H,56,70)(H,61,69)(H,57,59,62)/t41-,43+,48-/m1/s1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-09-13 | | Release date: | 2024-09-18 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-[3-[4-[4-[4-[[3-oxidanylidene-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]-2-prop-2-enyl-pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butoxy]propanoylamino]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | X1F | | Name: | 5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid | | Formula: | C15 H23 N O11 | | SMILES: | OC(=O)C1(O)CC(O)C(NC(C)=O)C(O1)C(OC(C)=O)C(O)COC(C)=O | | InChi: | InChI=1S/C15H23NO11/c1-6(17)16-11-9(20)4-15(24,14(22)23)27-13(11)12(26-8(3)19)10(21)5-25-7(2)18/h9-13,20-21,24H,4-5H2,1-3H3,(H,16,17)(H,22,23)/t9-,10+,11+,12+,13+,15+/m0/s1 | | Definition date: | 2023-10-18 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | 5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
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 | | A1H0P | | Name: | 3-O-sulfo-alpha-D-mannopyranose | | Formula: | C6 H12 O9 S | | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O | | InChi: | InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5+,6+/m1/s1 | | Synonyms: | [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate | | Definition date: | 2023-12-16 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | [(2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] hydrogen sulfate |
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 | | SKC | | Name: | (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one | | Formula: | C24 H20 Cl F2 N5 O | | SMILES: | Clc1ccc(cc1)c1cccnc1N1CC2(NC(=N)N(C)C(=O)C2C1)c1cc(F)ccc1F | | InChi: | InChI=1S/C24H20ClF2N5O/c1-31-22(33)19-12-32(21-17(3-2-10-29-21)14-4-6-15(25)7-5-14)13-24(19,30-23(31)28)18-11-16(26)8-9-20(18)27/h2-11,19H,12-13H2,1H3,(H2,28,30)/t19-,24+/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one |
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 | | T0F | | Name: | (2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one | | Formula: | C24 H20 Cl F2 N5 O | | SMILES: | Clc1ccccc1c1cccnc1N1CC2(NC(=N)N(C)C(=O)C2C1)c1cc(F)ccc1F | | InChi: | InChI=1S/C24H20ClF2N5O/c1-31-22(33)18-12-32(21-16(6-4-10-29-21)15-5-2-3-7-19(15)25)13-24(18,30-23(31)28)17-11-14(26)8-9-20(17)27/h2-11,18H,12-13H2,1H3,(H2,28,30)/t18-,24+/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | (2E,4aR,7aS)-6-[(3M)-3-(2-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one |
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 | | NOJ | | Name: | 1-DEOXYNOJIRIMYCIN | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(NCC(O)C1O)CO | | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 | | Synonyms: | MORANOLINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-08-16 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | N60 | | Name: | 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide | | Formula: | C22 H20 F5 N3 O3 | | SMILES: | CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13 | | InChi: | InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1 | | Synonyms: | RO4929097 | | Definition date: | 2023-08-22 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 2,2-dimethyl-~{N}-[(7~{S})-6-oxidanylidene-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-~{N}'-[2,2,3,3,3-pentakis(fluoranyl)propyl]propanediamide |
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 | | N9C | | Name: | 4,4,4-tris(fluoranyl)-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxidanylidene-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide | | Formula: | C22 H23 F3 N4 O4 | | SMILES: | C[CH](NC(=O)CCC(F)(F)F)C(=O)N[CH]1C(=O)N(CCO)c2ncccc2c3ccccc13 | | InChi: | InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1 | | Synonyms: | Crenigacestat | | Definition date: | 2023-08-22 | | Last modified: | 2024-08-09 | | Release date: | 2024-08-14 | | Identifier: | 4,4,4-tris(fluoranyl)-~{N}-[(2~{S})-1-[[(7~{S})-5-(2-hydroxyethyl)-6-oxidanylidene-7~{H}-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide |
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 | | 5I7 | | Name: | (phenylmethyl) ~{N}-[(2~{S})-6-[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-6-oxidanyl-2-tridecyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]-1-oxidanylidene-1-[2-(triethyl-$l^{4}-azanyl)ethylamino]hexan-2-yl]carbamate | | Formula: | C51 H86 N9 O16 P2 S | | SMILES: | CC[N+](CC)(CC)CCNC(=O)C(NC(=O)OCc1ccccc1)CCCCNC1(OC2C(O)C(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OC2S1)CCCCCCCCCCCCC | | InChi: | InChI=1S/C51H85N9O16P2S/c1-5-9-10-11-12-13-14-15-16-17-22-27-51(57-28-23-21-26-37(47(64)53-29-30-60(6-2,7-3)8-4)58-50(65)70-31-36-24-19-18-20-25-36)75-44-42(62)39(74-49(44)79-51)33-72-78(68,69)76-77(66,67)71-32-38-41(61)43(63)48(73-38)59-35-56-40-45(52)54-34-55-46(40)59/h18-20,24-25,34-35,37-39,41-44,48-49,57,61-63H,5-17,21-23,26-33H2,1-4H3,(H5-,52,53,54,55,58,64,65,66,67,68,69)/p+1/t37-,38+,39+,41+,42+,43+,44+,48+,49+,51+/m0/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | 2-{[(2S)-6-{[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-6-hydroxy-2-tridecyltetrahydro-2H-furo[2,3-d][1,3]oxathiol-2-yl]amino}-2-{[(benzyloxy)carbonyl]amino}hexanoyl]amino}-N,N,N-triethylethan-1-aminium (non-preferred name) |
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 | | WOF | | Name: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline | | Formula: | C23 H29 N7 O6 S | | SMILES: | O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)c1nnnc2c1sc1nc(NC)c3CCCCc3c12 | | InChi: | InChI=1S/C23H29N7O6S/c1-24-19-11-5-3-2-4-10(11)12-13-18(37-21(12)25-19)20(27-28-26-13)29-6-8-30(9-7-29)22-16(33)14(31)15(32)17(36-22)23(34)35/h14-17,22,31-33H,2-9H2,1H3,(H,24,25)(H,34,35)/t14-,15-,16+,17-,22+/m0/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2024-07-19 | | Release date: | 2024-07-24 | | Identifier: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
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 | | ZX4 | | Name: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine | | Formula: | C25 H32 N10 O6 S | | SMILES: | O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1 | | Definition date: | 2023-04-17 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine |
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 | | A1ACY | | Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside | | Formula: | C16 H19 N O7 | | SMILES: | CC1=CC(=O)Oc2cc(OC3OC(CO)C(O)C(O)C3N)ccc12 | | InChi: | InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1 | | Definition date: | 2024-01-17 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside |
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 | | 4UH | | Name: | Amphotericin B | | Formula: | C47 H73 N O17 | | SMILES: | O=C(O)C1C(O)CC2(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC1O2 | | InChi: | InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 | | Synonyms: | (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid | | Definition date: | 2021-07-14 | | Last modified: | 2024-06-11 | | Release date: | 2022-03-09 | | Identifier: | (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid |
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 | | A1D46 | | Name: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one | | Formula: | C21 H20 N4 O2 | | SMILES: | O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4 | | InChi: | InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26) | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one |
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 | | A1D47 | | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one | | Formula: | C21 H19 N3 O3 | | SMILES: | O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4 | | InChi: | InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10- | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one |
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 | | A1D48 | | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one | | Formula: | C16 H11 N3 O2 | | SMILES: | Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12 | | InChi: | InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6- | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one |
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 | | FQ6 | | Name: | 4H-1,3-benzodioxine-6-carbaldehyde | | Formula: | C9 H8 O3 | | SMILES: | O=Cc1ccc2OCOCc2c1 | | InChi: | InChI=1S/C9H8O3/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-4H,5-6H2 | | Synonyms: | 4H-benzo[d][1,3]dioxine-6-carbaldehyde | | Definition date: | 2020-06-12 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 4~{H}-1,3-benzodioxine-6-carbaldehyde |
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 | | UC6 | | Name: | 1,5-anhydro-D-ribo-hex-3-ulose | | Formula: | C6 H10 O5 | | SMILES: | OC1C(CO)OCC(O)C1=O | | InChi: | InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-4,6-8,10H,1-2H2 | | Definition date: | 2023-09-01 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 1,5-anhydro-D-ribo-hex-3-ulose |
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