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DBF : Summary
Code
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DBF
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One-letter code
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X
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Molecule name
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DIBENZOFURAN-4,6-DICARBOXYLIC ACID
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Systematic names
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Formula
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C14 H8 O5
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Formal charge
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0
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Molecular weight
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256.21 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)c3c2oc1c(cccc1c2ccc3)C(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)c1cccc2c1oc3c(cccc23)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)c1cccc2c1oc3c(cccc23)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O |
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IUPAC InChI | InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18) |
IUPAC InChI key | HBBGSNOHAGNQRQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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27 (19 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2000-01-28
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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