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4EV : Summary
Code ![](/pdbe/static/images/help.png)
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4EV
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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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(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
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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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C13 H10 O4
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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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230.216 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 |
O=C(c1ccc(cc1O)O)c2cccc(c2)O |
SMILES
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CACTVS |
3.385 |
Oc1ccc(c(O)c1)C(=O)c2cccc(O)c2 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O |
Canonical SMILES
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CACTVS |
3.385 |
Oc1ccc(c(O)c1)C(=O)c2cccc(O)c2 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H10O4/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,14-16H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NBKYIYGREQXQJY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (17 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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2015-03-11
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Last modified at ![](/pdbe/static/images/help.png)
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2016-03-04
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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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