| SpectraBase Spectrum ID |
HDPvj2uSvM2 |
| Name |
4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5,6-dihydroxy-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.105646834 u |
| Formula |
C21H20O10 |
| InChI |
InChI=1S/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1 |
| InChIKey |
IPQKDIRUZHOIOM-IAAKTDFRSA-N |
| Molecular Weight |
432.381 g/mol |
| SMILES |
C1(O)=C2C(OC(=CC2=O)C2=CC=CC=C2)=CC(=C1O)O[C@@]1(O[C@](CO)([C@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818089 |
