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13X : Summary
Code ![](/pdbe/static/images/help.png)
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13X
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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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benzene-1,3,5-triol
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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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C6 H6 O3
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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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126.11 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Oc1cc(O)cc(O)c1 |
SMILES
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CACTVS |
3.370 |
Oc1cc(O)cc(O)c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1c(cc(cc1O)O)O |
Canonical SMILES
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CACTVS |
3.370 |
Oc1cc(O)cc(O)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1c(cc(cc1O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QCDYQQDYXPDABM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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15 (9 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2012-10-05
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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