RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0138698 | |
---|---|---|
RefMet name | Galaxolidone | |
Systematic name | 4,6,6,7,8,8-hexamethyl-4,7-dihydro-3H-cyclopenta[g]isochromen-1-one | |
Synonyms | PubChem Synonyms | |
Exact mass | 272.177630 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
Formula | C18H24O2 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 201140 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | PGMHPYRIXBRRQD-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CC1COC(=O)c2cc3c(cc12)C(C)(C)C(C)C3(C)C
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Organoheterocyclic compounds | |
Main Class | Benzopyrans | |
Sub Class | 2-Benzopyrans | |
Distribution of Galaxolidone in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Platform | Platform (MS/NMR) used for detection | |
Chromatography | Chromatography methods used for detection | |
Studies | NMDR Studies reporting Galaxolidone | |
External Links | ||
Pubchem CID | 69131857 | |
ChEBI ID | 83519 | |
Spectral data for Galaxolidone standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 2 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |