 | | PZM | | Name: | 1-(4-METHOXYPHENYL)METHANAMINE | | Formula: | C8 H11 N O | | SMILES: | O(c1ccc(cc1)CN)C | | InChi: | InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3 | | Synonyms: | P-METHOXYBENZYLAMINE | | Definition date: | 2006-07-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-(4-methoxyphenyl)methanamine |
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 | | ZXY | | Name: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide | | Formula: | C32 H30 N2 O11 | | SMILES: | N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O | | InChi: | InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1 | | Synonyms: | Montbretin A analogue M06-MbA | | Definition date: | 2019-03-25 | | Last modified: | 2021-03-01 | | Release date: | 2020-02-12 | | Identifier: | N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide |
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 | | PZP | | Name: | [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate | | Formula: | C8 H11 N2 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C=[N@H])C | | InChi: | InChI=1S/C8H11N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h2-3,9,11H,4H2,1H3,(H2,12,13,14)/b9-2+ | | Synonyms: | pyridoximine-5'-phosphate | | Definition date: | 2010-04-23 | | Last modified: | 2021-03-01 | | Identifier: | {5-hydroxy-4-[(E)-iminomethyl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate |
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 | | S02 | | Name: | PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER | | Formula: | C18 H31 O7 P | | SMILES: | O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2 | | InChi: | InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1 | | Synonyms: | STILBENEDIETHER NUCLEOTIDE LINKER | | Definition date: | 1999-08-18 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate |
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 | | XPE | | Name: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | | Formula: | C20 H42 O11 | | SMILES: | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 | | Synonyms: | DECAETHYLENE GLYCOL | | Definition date: | 2004-06-23 | | Last modified: | 2021-03-01 | | Identifier: | 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol |
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 | | XPG | | Name: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid | | Formula: | C20 H34 O5 | | SMILES: | O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC | | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1 | | Synonyms: | Prostaglandin E1 | | Definition date: | 2013-09-17 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-10 | | Identifier: | (11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid |
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 | | U1K | | Name: | (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID | | Formula: | C10 H16 N2 O3 S | | SMILES: | [O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C | | InChi: | InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1 | | Synonyms: | THIO-ATPA | | Definition date: | 2003-08-05 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate |
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 | | VN3 | | Name: | VANADATE ION | | Formula: | O3 V | | SMILES: | O=[V-](=O)=O | | InChi: | InChI=1S/3O.V/q | | Synonyms: | METAVANADATE | | Definition date: | 2005-07-14 | | Last modified: | 2021-03-01 | | Identifier: | trioxovanadate(1-) |
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 | | SU1 | | Name: | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE | | Formula: | C17 H16 N2 O3 | | SMILES: | O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C | | InChi: | InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8- | | Synonyms: | SU5402 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
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 | | ZYC | | Name: | ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | | Formula: | C12 H14 O4 | | SMILES: | O=C(OCC)C=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+ | | Synonyms: | ethyl ferulate | | Definition date: | 2010-10-29 | | Last modified: | 2021-03-01 | | Identifier: | ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
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 | | UTX | | Name: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide | | Formula: | C21 H29 B12 N6 O5 S | | SMILES: | ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 | | InChi: | InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1 | | Synonyms: | UTX-97 | | Definition date: | 2016-12-08 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-28 |
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 | | B1K | | Name: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol | | Formula: | C15 H19 N3 O6 | | SMILES: | COc1ccc(cc1)c2[nH]nc(n2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O | | InChi: | InChI=1S/C15H19N3O6/c1-23-8-4-2-7(3-5-8)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)24-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1 | | Synonyms: | JLH270 | | Definition date: | 2017-09-05 | | Last modified: | 2021-03-01 | | Release date: | 2018-02-28 | | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol |
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 | | TNC | | Name: | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE | | Formula: | C21 H20 N2 O6 | | SMILES: | O=C(N)C4=C(O)C3=C(O)c2c(O)c1c(O)cccc1cc2CC3C(N(C)C)C4=O | | InChi: | InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1 | | Synonyms: | DEHYDRATED SANCYCLINE | | Definition date: | 2003-01-03 | | Last modified: | 2021-03-01 | | Identifier: | (4S,4aR)-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydrotetracene-2-carboxamide |
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 | | XCA | | Name: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C4CCC3C1C(C2(C(=CC1)C=C(O)CC2)C)CCC34C | | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,16-18,21-24,28H,5-7,9-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (25S)-cholestenoic acid | | Definition date: | 2011-11-18 | | Last modified: | 2021-03-01 | | Identifier: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid |
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 | | SU9 | | Name: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE | | Formula: | C13 H11 N3 O2 | | SMILES: | O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2 | | InChi: | InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4- | | Synonyms: | SU9516 | | Definition date: | 2003-05-27 | | Last modified: | 2021-03-01 | | Identifier: | (3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one |
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 | | SUA | | Name: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER | | Formula: | C13 H14 N2 O3 S3 | | SMILES: | O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2 | | InChi: | InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17) | | Synonyms: | Carbonic Anhydrase II inhibitor 16923 | | Definition date: | 2002-06-06 | | Last modified: | 2021-03-01 | | Identifier: | O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate |
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 | | B1R | | Name: | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium | | Formula: | C20 H16 N2 O2 Ru S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57 | | InChi: | InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14 | | Synonyms: | biotinylruthenocene | | Definition date: | 2012-12-06 | | Last modified: | 2021-03-01 | | Release date: | 2013-08-14 | | Identifier: | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium |
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 | | RMA | | Name: | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE | | Formula: | C13 H15 N | | SMILES: | C#CCN(C)C2c1ccccc1CC2 | | InChi: | InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1 | | Synonyms: | N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN | | Definition date: | 2004-01-15 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine |
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 | | TNL | | Name: | 2,4,6-TRINITROTOLUENE | | Formula: | C7 H5 N3 O6 | | SMILES: | O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1C)[N+]([O-])=O | | InChi: | InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 | | Synonyms: | TNT | | Definition date: | 2002-02-27 | | Last modified: | 2021-03-01 | | Identifier: | 2-methyl-1,3,5-trinitrobenzene |
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 | | TNN | | Name: | (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione | | Formula: | C27 H19 N O8 | | SMILES: | CC(O)C15OC16c4cc(O)c3C(=O)c2ccc(OC)c(O)c2C(=O)c3c4NC5C#CC=CC#CC6O | | InChi: | InChI=1S/C27H19NO8/c1-12(29)26-17-7-5-3-4-6-8-18(31)27(26,36-26)14-11-15(30)20-21(22(14)28-17)25(34)19-13(23(20)32)9-10-16(35-2)24(19)33/h3-4,9-12,17-18,28-31,33H,1-2H3/b4-3-/t12-,17+,18-,26+,27+/m1/s1 | | Synonyms: | tiancimycin | | Definition date: | 2017-02-09 | | Last modified: | 2021-03-01 | | Release date: | 2018-07-04 | | Identifier: | (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione |
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 | | 5VO | | Name: | 6-oxidanylidene-6-phenyl-hexanoic acid | | Formula: | C12 H14 O3 | | SMILES: | OC(=O)CCCCC(=O)c1ccccc1 | | InChi: | InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) | | Synonyms: | 5-Benzoylpentanoic Acid | | Definition date: | 2015-12-10 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-23 | | Identifier: | 6-oxidanylidene-6-phenyl-hexanoic acid |
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 | | ZYX | | Name: | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | | Formula: | C8 H12 N2 O2 S | | SMILES: | O=S(=O)(c1ccc(cc1)CCN)N | | InChi: | InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12) | | Synonyms: | P-AMINOETHYL BENZENESULFONAMIDE | | Definition date: | 2006-10-30 | | Last modified: | 2021-03-01 | | Identifier: | 4-(2-aminoethyl)benzenesulfonamide |
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 | | TNV | | Name: | [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE | | Formula: | C9 H16 N5 O10 P3 | | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O | | InChi: | InChI=1S/C9H16N5O10P3/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1 | | Synonyms: | TENOFOVIR-DIPHOSPHATE | | Definition date: | 2004-04-21 | | Last modified: | 2021-03-01 | | Identifier: | [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid |
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 | | 5VQ | | Name: | 2-Propen-1-ol | | Formula: | C3 H6 O | | SMILES: | OCC=C | | InChi: | InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 | | Synonyms: | allyl alcohol | | Definition date: | 2015-12-11 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-06 | | Identifier: | prop-2-en-1-ol |
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 | | SFM | | Name: | (13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE | | Formula: | C39 H56 N4 O10 | | SMILES: | O=C1OC(C(=C/CO)/C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC(C(=O)N2NC1CCC2)Cc3cccc(O)c3)C(C)C)CCC(=O)C | | InChi: | InChI=1S/C39H56N4O10/c1-23(2)34-37(50)40-31(22-27-11-9-12-28(46)21-27)38(51)43-19-10-13-30(42-43)39(52)53-33(24(3)18-20-44)15-8-6-7-14-32(47)26(5)35(48)29(36(49)41-34)17-16-25(4)45/h6-9,11-12,14,18,21,23,26,29-35,42,44,46-48H,10,13,15-17,19-20,22H2,1-5H3,(H,40,50)(H,41,49)/b8-6+,14-7+,24-18+/t26-,29+,30-,31-,32-,33-,34-,35+/m0/s1 | | Synonyms: | ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-10,12-dihydroxy-3-(3-hydroxybenzyl)-18-[(2E)-4-hydroxybut-2-en-2-yl]-11-methyl-9-(3-oxobutyl)-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone |
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