| SpectraBase Spectrum ID |
3lj87cOuvI |
| Name |
Metabolite B (7-hydroxy-2-(2'(R/S)-hydroxypropyl)-5-methylchromone) |
| Alternate Name(s) |
7-Hydroxy-2-(2-hydroxypropyl)-5-methyl-1-benzopyran-4-one
7-Hydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
7-Hydroxy-2-(2-hydroxypropyl)-5-methyl-chromen-4-one
5-Methyl-7-oxidanyl-2-(2-oxidanylpropyl)chromen-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,8,14-15H,4H2,1-2H3 |
| InChIKey |
ZYCNQWOKCMJKEZ-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
Oc1cc2c(C(C=C(CC(O)C)O2)=O)c(c1)C |
| SPLASH |
splash10-015c-8940000000-96fabfdd55432485127b |
| Source of Spectrum |
E1-39-708-4 |
| Wiley ID |
1518843 |
