| PDB CCD ID: | 46M |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H14 O8 |
| InChI: | InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5+,6-,7-,9+/m1/s1 |
| InChIKey: | QVVFNJUJKXWFAU-BDIBXJNUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC1(OCC2C(O1)C(C(C(O2)O)O)O)C(=O)O | | CACTVS 3.341 | C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O | | CACTVS 3.341 | C[C@@]1(OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O1)C(O)=O | | ACDLabs 10.04 | O=C(O)C1(OCC2OC(O)C(O)C(O)C2O1)C | | OpenEye OEToolkits 1.5.0 | C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O |
|
| Name: | (4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID;
[4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE] |
| DrugBank: | DB04597 |
| ZINC: | ZINC000006415582 |
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