Compound_3_YAC_4P Rhodiflavan B.tocsy
URL: https://nmrxiv.org/D2279
Dataset description:
A new secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Source: 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 |
| 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 |
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