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PDBeChem : Molecule Descriptors
Molecule : YZ0
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
HOVAGTYPODGVJG-ULQPCXBYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
OC1C(O)C(O)C(OC1OC)CO |
4 |
SMILES
|
CACTVS |
3.370 |
CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
COC1C(C(C(C(O1)CO)O)O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
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