 | | XLF | | 表記: | beta-D-xylulofuranose | | 組成式: | C5 H10 O5 | | SMILES: | OCC1(O)OCC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5-/m1/s1 | | 別名: | beta-D-xylulose | | 定義日: | 2008-04-18 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | beta-D-xylulofuranose |
|
 | | XLS | | 表記: | D-xylose | | 組成式: | C5 H10 O5 | | SMILES: | O=CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1 | | 別名: | D-XYLOSE (LINEAR FORM) | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | D-xylose |
|
 | | XMM | | 表記: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside | | 組成式: | C14 H15 Br Cl N O6 | | SMILES: | Brc3ccc2c(c(OC1OC(C(O)C(O)C1O)CO)cn2)c3Cl | | InChi: | InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1 | | 別名: | (2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-1H-INDOL-3-YLOXY)-TETRAHYDRO-6-(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL | | 定義日: | 2005-04-26 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside |
|
 | | CBF | | 表記: | (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide | | 組成式: | C7 H13 N O7 | | SMILES: | O=C(N)C1(O)OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1 | | 別名: | C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDE | | 定義日: | 2003-05-01 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name) |
|
 | | CDR | | 表記: | (2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol | | 組成式: | C6 H12 O3 | | SMILES: | OC1C(OC(O)CC1)C | | InChi: | InChI=1S/C6H12O3/c1-4-5(7)2-3-6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1 | | 別名: | 2,3-DIDEOXYFUCOSE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol |
|
 | | CEG | | 表記: | 4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose | | 組成式: | C9 H14 O8 | | SMILES: | O=C(O)C1(OCC2OC(O)C(O)C(O)C2O1)C | | InChi: | InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1 | | 別名: | 4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-GLUCOSE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | 4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose |
|
 | | CEZ | | 表記: | 4-O-beta-D-glucopyranosyl-D-gluconic acid | | 組成式: | C12 H22 O12 | | SMILES: | O(C(C(C(C(O)=O)O)O)C(O)CO)C1OC(CO)C(O)C(C1O)O | | InChi: | InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1 | | 別名: | cellobionic acid | | 定義日: | 2015-05-12 | | 最終更新日: | 2020-07-17 | | 公開日: | 2015-06-10 | | 識別子（ID）: | 4-O-beta-D-glucopyranosyl-D-gluconic acid |
|
 | | CGF | | 表記: | C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE | | 組成式: | C7 H14 N4 O6 | | SMILES: | [N-]=[N+]=N/C1(OC(C(O)C(O)C1O)CO)C(O)N | | InChi: | InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1 | | 定義日: | 2003-04-25 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (2S,3R,4S,5S,6R)-2-[(R)-amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred
name) |
|
 | | XXM | | 表記: | 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose | | 組成式: | C5 H10 O5 | | SMILES: | OCC1(C(C(OC1)O)O)O | | InChi: | InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1 | | 別名: | alpha-D-apiose | | 定義日: | 2016-02-24 | | 最終更新日: | 2020-07-17 | | 公開日: | 2016-04-20 | | 識別子（ID）: | (2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol |
|
 | | XXR | | 表記: | alpha-D-rhamnopyranose | | 組成式: | C6 H12 O5 | | SMILES: | OC1C(O)C(OC(O)C1O)C | | InChi: | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1 | | 別名: | alpha-D-rhamnose | | 定義日: | 2013-07-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2014-02-19 | | 識別子（ID）: | 6-deoxy-alpha-D-mannopyranose |
|
 | | XXX | | 表記: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | | 組成式: | C12 H26 N4 O6 | | SMILES: | O(C1C(O)C(O)C(N)CC1N)C2OC(C(O)C(O)C2N)CN | | InChi: | InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1 | | 別名: | (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL | | 定義日: | 2005-11-03 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
|
 | | XYF | | 表記: | 5(R)-fluoro-beta-D-xylopyranose | | 組成式: | C5 H8 F O5 | | SMILES: | [O-]C1OC(F)C(O)C(O)C1O | | InChi: | InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1 | | 別名: | 5(R)-fluoro-beta-D-xylose | | 定義日: | 2004-10-23 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate (non-preferred name) |
|
 | | XYL | | 表記: | Xylitol | | 組成式: | C5 H12 O5 | | SMILES: | OC(CO)C(O)C(O)CO | | InChi: | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+ | | 別名: | D-Xylitol | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | D-xylitol |
|
 | | XYP | | 表記: | beta-D-xylopyranose | | 組成式: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 | | 別名: | beta-D-xylose | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | beta-D-xylopyranose |
|
 | | XYS | | 表記: | alpha-D-xylopyranose | | 組成式: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 | | 別名: | alpha-D-xylose | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | alpha-D-xylopyranose |
|
 | | XYZ | | 表記: | beta-D-xylofuranose | | 組成式: | C5 H10 O5 | | SMILES: | OC1C(OC(O)C1O)CO | | InChi: | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 | | 別名: | beta-D-xylose | | 定義日: | 2004-06-10 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | beta-D-xylofuranose |
|
 | | CJB | | 表記: | 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione | | 組成式: | C10 H14 N2 O7 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C10H14N2O7/c13-3-4-6(15)7(16)8(17)9(19-4)12-2-1-5(14)11-10(12)18/h1-2,4,6-9,13,15-17H,3H2,(H,11,14,18)/t4-,6-,7+,8-,9-/m1/s1 | | 別名: | 1-D-glucopyranosyl-uracil | | 定義日: | 2007-11-16 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | 1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione |
|
 | | CKB | | 表記: | 1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione | | 組成式: | C11 H16 N2 O7 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C11H16N2O7/c1-4-2-13(11(19)12-9(4)18)10-8(17)7(16)6(15)5(3-14)20-10/h2,5-8,10,14-17H,3H2,1H3,(H,12,18,19)/t5-,6-,7+,8-,10-/m1/s1 | | 別名: | 1-D-glucopyranosyl-thymine | | 定義日: | 2007-11-16 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | 1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione |
|
 | | CKP | | 表記: | 6-O-phosphono-beta-D-psicofuranosonic acid | | 組成式: | C6 H11 O10 P | | SMILES: | O[CH]1[CH](O)[C](O)(O[CH]1CO[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1 | | 別名: | (2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-2-CARBOXYLIC ACID | | 定義日: | 2006-01-19 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | 6-O-phosphono-beta-D-psicofuranosonic acid |
|
 | | CNP | | 表記: | 2-propenyl-N-acetyl-neuraminic acid | | 組成式: | C14 H23 N O8 | | SMILES: | O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)CC=C | | InChi: | InChI=1S/C14H23NO8/c1-3-4-14(13(21)22)5-8(18)10(15-7(2)17)12(23-14)11(20)9(19)6-16/h3,8-12,16,18-20H,1,4-6H2,2H3,(H,15,17)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1 | | 別名: | 2-PROPENYL-N-ACETYL-NEURAMIC ACID | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-2-prop-2-en-1-yl-D-erythro-L-manno-nononic acid |
|
 | | CR1 | | 表記: | N-(methoxycarbonyl)-beta-D-glucopyranosylamine | | 組成式: | C8 H15 N O7 | | SMILES: | O=C(OC)NC1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1 | | 別名: | 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCOPYRANOSE | | 定義日: | 2000-09-15 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | N-(methoxycarbonyl)-beta-D-glucopyranosylamine |
|
 | | CR6 | | 表記: | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE | | 組成式: | C9 H16 N2 O7 | | SMILES: | O=C(NC1(OC(CO)C(O)C(O)C1O)C(=O)N)C | | InChi: | InChI=1S/C9H16N2O7/c1-3(13)11-9(8(10)17)7(16)6(15)5(14)4(2-12)18-9/h4-7,12,14-16H,2H2,1H3,(H2,10,17)(H,11,13)/t4-,5-,6+,7-,9+/m1/s1 | | 定義日: | 2000-09-15 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (2S,3R,4S,5S,6R)-2-(acetylamino)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred
name) |
|
 | | CRA | | 表記: | 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE | | 組成式: | C9 H16 N2 O8 | | SMILES: | O=C(OC)NC1(OC(CO)C(O)C(O)C1O)C(=O)N | | InChi: | InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | methyl [(2S,3R,4S,5S,6R)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamate
(non-preferred name) |
|
 | | POG | | 表記: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL | | 組成式: | C21 H44 O8 | | SMILES: | O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C | | InChi: | InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1 | | 別名: | POLYPROPYLENE GLYCOL | | 定義日: | 2004-09-01 | | 最終更新日: | 2020-05-27 | | 識別子（ID）: | (20R)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol |
|
 | | O9M | | 表記: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide | | 組成式: | C18 H15 F N4 O3 S | | SMILES: | c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3 | | InChi: | InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24) | | 定義日: | 2019-06-19 | | 最終更新日: | 2020-03-27 | | 公開日: | 2020-04-01 | | 識別子（ID）: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide |
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