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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C18H12O5
Canonical SMILES: Oc1ccc(cc1)C1=C(O)C(=O)C(=C(C1=O)O)c1ccccc1
InChI: InChI=1S/C18H12O5/c19-12-8-6-11(7-9-12)14-17(22)15(20)13(16(21)18(14)23)10-4-2-1-3-5-10/h1-9,19-20,23H
InChIKey: PNTORJXTFRBTDZ-UHFFFAOYSA-N
Exact Mass:
Crosslinks: 
Published on 2025-04-03
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Authors: 
Johannes Liermann1 - Carsten Wieder2,3 - Claudia Simon Sanchez2 - Rainer Wiechert1 - Karsten Andresen2 - Eckhard Thines2,3 - Till Opatz1 - Anja Schueffler3
1. Department Chemie, Johannes Gutenberg-Universität Mainz, Germany
2. Institute of Molecular Physiology (IMP), Johannes Gutenberg-Universität Mainz, Germany
3. Institut für Biotechnologie und Wirkstoff-Forschung, Institut für Biotechnologie und Wirkstoff-Forschung gGmbH, Germany
Analysis DOI:
Analysis ID:
Datasets