YAC_1S (Compound 12) Pisatin.tocsy
URL: https://nmrxiv.org/D2297
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Source: YAC_1S (Compound 12) Pisatin.tocsy
Chemical Info
| InChI |
InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3 |
| SMILES |
COC1=CC2=C(C=C1)C1OC3=CC4=C(C=C3C1(O)CO2)OCO4 |
| InChI Key |
LZMRDTLRSDRUSU-UHFFFAOYSA-N |
| Molecular Formula |
C17H14O6 |
| Exact Mass |
314.290 g/mol |
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