YAC_2M (Compound 20) D-Pinitol.hmbc
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Chemical Info
| InChI | InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1 |
|---|---|
| SMILES | COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O |
| InChI Key | DSCFFEYYQKSRSV-FEPQRWDDSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | May 15, 2024 |
| Metadata last updated | May 15, 2024 |
| Created | May 15, 2024 |
| Format | HTML |
| License | Attribution 4.0 International |
| Id | 23771069-17a1-45bf-9ccc-ac563758238b |
| Package id | nmrxiv-d2198 |
| Resource type | HTML |
| State | active |