Systematic / IUPAC Name: 1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
ID: Reference13755
Other Names: AA-4044
Formula: C21H24O6
Class: Endogenous Metabolites
Tetrahydrocurcumin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 2 |
| No. of Spectra | 2762 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/23/2026 4:39:30 PM |
| InChI | InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3 |
| InChI Key | LBTVHXHERHESKG-UHFFFAOYSA-N |
| Canonical SMILES | COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O |
| CAS | |
| Splash | |
| Other Names | AA-4044 |
| PubChem | 124072 |
| ChemSpider | 110569 |
| ChEMBL | CHEMBL318743 |
| HMDb | HMDB0005789 |
| ChEBI | CHEBI:67263 |