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HCC : Summary
Code
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HCC
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One-letter code
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X
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Molecule name
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2',4,4'-TRIHYDROXYCHALCONE
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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=C(c1ccc(O)cc1O)\C=C\c2ccc(O)cc2 |
SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1)C=CC(=O)c2ccc(O)cc2O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1)/C=C/C(=O)c2ccc(O)cc2O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O |
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IUPAC InChI | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ |
IUPAC InChI key | DXDRHHKMWQZJHT-FPYGCLRLSA-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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2000-09-27
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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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