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9WZ : Summary
Code ![](/pdbe/static/images/help.png)
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9WZ
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C14 H20 O8
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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316.304 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(c(cc1CCO)O)OC2(C(C(C(O2)CO)O)O)CO |
Canonical SMILES
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CACTVS |
3.385 |
OCCc1ccc(O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CNXXGYXVIZNKJW-YIYPIFLZSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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42 (22 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Saccharide
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Type description ![](/pdbe/static/images/help.png)
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D-saccharide
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Type code ![](/pdbe/static/images/help.png)
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ATOMS
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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FRU
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Defined at ![](/pdbe/static/images/help.png)
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2017-07-21
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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