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NDH : Summary
Code
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NDH
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One-letter code
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X
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Molecule name
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(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE
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Synonyms
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(1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL
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Systematic names
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Formula
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C10 H10 O2
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Formal charge
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0
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Molecular weight
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162.185 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OC2C=Cc1c(cccc1)C2O |
SMILES
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CACTVS |
3.341 |
O[CH]1C=Cc2ccccc2[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)C=CC(C2O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H]1C=Cc2ccccc2[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O |
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IUPAC InChI | InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1 |
IUPAC InChI key | QPUHWUSUBHNZCG-VHSXEESVSA-N |
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wwPDB Information |
Atom count
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22 (12 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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2002-11-11
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Last modified at
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2020-06-17
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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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