 | | SNV | | Name: | 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol | | Formula: | C12 H19 N3 O | | SMILES: | Nc1ccccc1N2CCN(CCO)CC2 | | InChi: | InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol |
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 | | UO4 | | Name: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile | | Formula: | C28 H25 N3 O4 | | SMILES: | c1c(c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)OCCN5C=CC(NC5=O)=O | | InChi: | InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33) | | Definition date: | 2020-05-25 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile |
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 | | R1P | | Name: | 1-O-phosphono-alpha-D-ribofuranose | | Formula: | C5 H11 O8 P | | SMILES: | O=P(OC1OC(C(O)C1O)CO)(O)O | | InChi: | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | | Synonyms: | RIBOSE-1-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 1-O-phosphono-alpha-D-ribofuranose |
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 | | TWA | | Name: | 2,3,4-tri-O-sulfo-beta-D-altropyranose | | Formula: | C6 H12 O15 S3 | | SMILES: | C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS(=O)(=O)O)O)O | | InChi: | InChI=1S/C6H12O15S3/c7-1-2-3(19-22(9,10)11)4(20-23(12,13)14)5(6(8)18-2)21-24(15,16)17/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4-,5+,6-/m1/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 2,3,4-tri-O-sulfo-beta-D-altropyranose |
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 | | SO7 | | Name: | (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide | | Formula: | C14 H18 N2 O4 | | SMILES: | CON(C)C(=O)[CH]1CN(C(=O)C1)c2ccc(OC)cc2 | | InChi: | InChI=1S/C14H18N2O4/c1-15(20-3)14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide |
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 | | TWD | | Name: | 2,3-di-O-sulfo-alpha-L-glucopyranose | | Formula: | C6 H12 O12 S2 | | SMILES: | C(C1C(C(C(C(O1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O | | InChi: | InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m0/s1 | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 2,3-di-O-sulfo-alpha-L-glucopyranose |
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 | | SOG | | Name: | octyl 1-thio-beta-D-glucopyranoside | | Formula: | C14 H28 O5 S | | SMILES: | S(CCCCCCCC)C1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1 | | Synonyms: | 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL | | Definition date: | 2003-01-21 | | Last modified: | 2020-07-17 | | Identifier: | octyl 1-thio-beta-D-glucopyranoside |
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 | | TWM | | Name: | 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide | | Formula: | C19 H21 N3 O2 | | SMILES: | c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3 | | InChi: | InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide |
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 | | SOJ | | Name: | ~{N}4-phenylbenzene-1,4-diamine | | Formula: | C12 H12 N2 | | SMILES: | Nc1ccc(Nc2ccccc2)cc1 | | InChi: | InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | ~{N}4-phenylbenzene-1,4-diamine |
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 | | 5LS | | Name: | 2,4-di-O-sulfo-alpha-D-glucopyranose | | Formula: | C6 H12 O12 S2 | | SMILES: | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O[S](O)(=O)=O | | InChi: | InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)3(8)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-,6+/m1/s1 | | Synonyms: | [(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-sulfooxy-oxan-3-yl] hydrogen sulfate | | Definition date: | 2015-10-20 | | Last modified: | 2020-07-17 | | Release date: | 2016-11-02 | | Identifier: | [(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-sulfooxy-oxan-3-yl] hydrogen sulfate |
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 | | TWP | | Name: | N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide | | Formula: | C16 H14 N2 O2 | | SMILES: | c2cc1c(cccc1)n2Cc3ccc(C(NO)=O)cc3 | | InChi: | InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide |
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 | | RUG | | Name: | 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole | | Formula: | C9 H15 N3 O6 | | SMILES: | n1nn(cc1CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8-,9-/m1/s1 | | Synonyms: | 1-beta-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole | | Definition date: | 2009-02-05 | | Last modified: | 2020-07-17 | | Identifier: | 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole |
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 | | 5LT | | Name: | 3,4-di-O-sulfo-alpha-D-glucopyranose | | Formula: | C6 H12 O12 S2 | | SMILES: | C1(OC(C(C(C1O)OS(=O)(=O)O)OS(=O)(=O)O)CO)O | | InChi: | InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4-,5-,6+/m1/s1 | | Definition date: | 2015-10-20 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | 3,4-di-O-sulfo-alpha-D-glucopyranose |
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 | | TWS | | Name: | N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide | | Formula: | C18 H18 N2 O3 | | SMILES: | c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23 | | InChi: | InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide |
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 | | TWV | | Name: | 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide | | Formula: | C20 H23 N3 O2 | | SMILES: | c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3CCN(C)C | | InChi: | InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24) | | Definition date: | 2020-04-02 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide |
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 | | RGG | | Name: | (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside | | Formula: | C9 H18 O8 | | SMILES: | O(CC(O)CO)C1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1 | | Synonyms: | (2R)-glyceryl-beta-D-galactopyranoside | | Definition date: | 2009-02-19 | | Last modified: | 2020-07-17 | | Identifier: | (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside |
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 | | SOV | | Name: | 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile | | Formula: | C12 H8 N2 O2 | | SMILES: | Cc1ccc(cc1C#N)N2C(=O)C=CC2=O | | InChi: | InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3 | | Definition date: | 2020-03-11 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile |
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 | | WZ1 | | Name: | methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside | | Formula: | C13 H24 O10 S | | SMILES: | S(C1C(O)C(OC)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C13H24O10S/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1 | | Synonyms: | Methyl(alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside | | Definition date: | 2008-01-09 | | Last modified: | 2020-07-17 | | Identifier: | methyl 3-S-alpha-D-mannopyranosyl-3-thio-alpha-D-mannopyranoside |
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 | | WZ2 | | Name: | methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside | | Formula: | C19 H34 O15 S | | SMILES: | S(C2C(O)C(OC)OC(COC1OC(CO)C(O)C(O)C1O)C2O)C3OC(C(O)C(O)C3O)CO | | InChi: | InChI=1S/C19H34O15S/c1-30-17-15(29)16(35-19-14(28)12(26)9(23)6(3-21)34-19)10(24)7(33-17)4-31-18-13(27)11(25)8(22)5(2-20)32-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-/m1/s1 | | Synonyms: | Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside | | Definition date: | 2008-01-09 | | Last modified: | 2020-07-17 | | Identifier: | methyl alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-3-thio-alpha-D-mannopyranoside |
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 | | WZ4 | | Name: | methyl
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio
-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside | | Formula: | C33 H57 N O25 S | | SMILES: | O=C(NC5C(O)C(O)C(OC5OC4C(O)C(O)C(OC4OC1C(O)C(OC(OC)C1O)COC3OC(CSC2OC(C(O)C(O)C2O)CO)C(O)C(O)C3O)CO)CO)C | | InChi: | InChI=1S/C33H57NO25S/c1-8(38)34-14-20(44)15(39)9(3-35)53-29(14)59-28-23(47)17(41)10(4-36)54-32(28)58-27-19(43)12(55-30(51-2)26(27)50)6-52-31-24(48)21(45)18(42)13(56-31)7-60-33-25(49)22(46)16(40)11(5-37)57-33/h9-33,35-37,39-50H,3-7H2,1-2H3,(H,34,38)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32-,33-/m1/s1 | | Synonyms: | Methyl(2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[ALPHA-D-MANNOPYRANOSYL-(1->6)-6
-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE | | Definition date: | 2008-01-11 | | Last modified: | 2020-07-17 | | Identifier: | methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside |
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 | | ZGE | | Name: | 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid | | Formula: | C12 H19 F N4 O7 | | SMILES: | O=C(C)NC1C(N/C(N)=N)C(F)=C(OC1C(O)C(CO)O)C(O)=O | | InChi: | InChI=1S/C12H19FN4O7/c1-3(19)16-7-6(17-12(14)15)5(13)9(11(22)23)24-10(7)8(21)4(20)2-18/h4,6-8,10,18,20-21H,2H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t4-,6+,7-,8-,10-/m1/s1 | | Synonyms: | (2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb
oxylic acid | | Definition date: | 2012-10-31 | | Last modified: | 2020-07-17 | | Release date: | 2013-05-01 | | Identifier: | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid |
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 | | XVR | | Name: | (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one | | Formula: | C13 H20 O4 | | SMILES: | O=C(CCCCC1OC(C=C1)=O)C(CC)(C)O | | InChi: | InChI=1S/C13H20O4/c1-3-13(2,16)11(14)7-5-4-6-10-8-9-12(15)17-10/h8-10,16H,3-7H2,1-2H3/t10-,13+/m0/s1 | | Definition date: | 2020-04-29 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one |
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 | | XDX | | Name: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid | | Formula: | C9 H17 O12 P | | SMILES: | OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O | | InChi: | InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1 | | Synonyms: | (2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid | | Definition date: | 2016-05-10 | | Last modified: | 2020-07-17 | | Release date: | 2017-05-24 | | Identifier: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid |
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 | | UCD | | Name: | (4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5
,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID | | Formula: | C14 H21 N O11 | | SMILES: | O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O)C)CO)C(O)C(O)C=2 | | InChi: | InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1 | | Synonyms: | 4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE | | Definition date: | 2005-08-04 | | Last modified: | 2020-07-17 | | Identifier: | 2-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose |
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 | | RHA | | Name: | 6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose | | Formula: | C6 H13 O8 P | | SMILES: | O=P(OC1OC(C(O)C(O)C1O)C)(O)O | | InChi: | InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1 | | Synonyms: | 6-DEOXY-MANNOSE-1'-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 6-deoxy-1-O-phosphono-alpha-L-mannopyranose |
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