| SpectraBase Spectrum ID |
6T9sKeY1xEV |
| Name |
4H-1-Benzopyran-4-one, 8-(.beta.-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.111126136 u |
| Formula |
C22H22O12 |
| InChI |
InChI=1S/C22H22O12/c1-31-14-4-8(2-3-9(14)24)13-6-11(26)16-10(25)5-12(27)20(21(16)32-13)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3/t15-,17-,18+,19-,22+/m1/s1 |
| InChIKey |
RTRPDMVGOFRVOY-LNBCOLIQSA-N |
| Molecular Weight |
478.406 g/mol |
| SMILES |
C=12C(C(=O)C=C(O2)C=2C=C(OC)C(=CC2)O)=C(O)C=C(C1O[C@]1([C@@]([C@@](O)([C@@]([C@](O1)(CO)[H])(O)[H])[H])(O)[H])[H])O |
