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G50 : Summary
Code
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G50
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One-letter code
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X
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Molecule name
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3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE
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Systematic names
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Formula
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C15 H14 O5
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Formal charge
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0
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Molecular weight
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274.269 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 |
SMILES
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CACTVS |
3.341 |
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O |
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IUPAC InChI | InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 |
IUPAC InChI key | VGEREEWJJVICBM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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34 (20 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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2007-03-28
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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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