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DFV : Summary
Code
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DFV
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One-letter code
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X
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Molecule name
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7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
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Synonyms
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5-DEOXYFLAVANONE
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Systematic names
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Formula
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C15 H12 O4
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Formal charge
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0
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Molecular weight
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256.253 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3 |
SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O |
Canonical SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O |
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IUPAC InChI | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1 |
IUPAC InChI key | FURUXTVZLHCCNA-AWEZNQCLSA-N |
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wwPDB Information |
Atom count
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31 (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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2000-08-29
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Last modified at
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2021-03-01
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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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