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PDBeChem : Molecule Descriptors
Molecule : DGY
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
RBNPOMFGQQGHHO-UWTATZPHSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(O)CO |
4 |
SMILES
|
CACTVS |
3.341 |
OC[CH](O)C(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)O)O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
OC[C@@H](O)C(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@H](C(=O)O)O)O |
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