YAC_2M (Compound 20) D-Pinitol.tocsy
URL: https://nmrxiv.org/D2195
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Source: YAC_2M (Compound 20) D-Pinitol.tocsy
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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