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DQH : Summary
Code
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DQH
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One-letter code
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X
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Molecule name
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(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
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Synonyms
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(2R,3R)-TRANS-DIHYDROQUERCETIN
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Systematic names
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Formula
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C15 H12 O7
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Formal charge
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0
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Molecular weight
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304.252 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)c(O)c1)C2O)cc(O)cc3O |
SMILES
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CACTVS |
3.341 |
O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 |
IUPAC InChI key | CXQWRCVTCMQVQX-LSDHHAIUSA-N |
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wwPDB Information |
Atom count
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34 (22 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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2001-10-30
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Last modified at
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2021-03-13
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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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