Dataset
Compound_3_YAC_4P Rhodiflavan B.tocsy
Chemical Info
InChI | InChI=1S/C31H40O5/c1-20(2)12-15-30(16-13-21(3)4)28-27(24(32)18-26(36-28)23-10-8-7-9-11-23)25(33)19-31(35,29(30)34)17-14-22(5)6/h7-14,24,26,32,35H,15-19H2,1-6H3 |
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SMILES | CC(C)=CCC1(O)CC(=O)C2=C(OC(C3=CC=CC=C3)CC2O)C(CC=C(C)C)(CC=C(C)C)C1=O |
InChI Key | LRYJYQKNRIGCKD-UHFFFAOYSA-N |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p62.s440.d2279 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D2279 |
Version | |
Author | Atilaw Y, Muiva-Mutisya L, Bogaerts J, Duffy S, Valkonen A, Heydenreich M, Avery VM, Rissanen K, Erdélyi M, Yenesew A. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:02:26.660649 |
MetadataModified | 2024-09-23T09:31:10.973188 |
MetadataPublished | 2024-03-05 20:39:34 |
Field | Value |
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Measurement Technique | total correlation spectroscopy |
Measurement Variables |
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Data-Source Molecule ID | Data-Source |
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No additional information available for this Dataset. |