1,5-Anhydro-1-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol
8198
Reference
1,5-Anhydro-1-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol Structure
Systematic / IUPAC Name: 5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
ID: Reference8198
Other Names: Hexitol, 1,5-anhydro-1-C-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-
Formula: C21H20O10
Spectral Data
1,5-Anhydro-1-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/10/2018 9:23:39 AM |
Identificators
| InChI | InChI=1S/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2 |
| InChI Key | HIWJJOYYZFELEZ-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | Hexitol, 1,5-anhydro-1-C-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]- |
In Other Databases
| ChEMBL | CHEMBL1975213 |
| PubChem | 5472471 |
| ChemSpider | 4582418 |