RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0118485 | |
|---|---|---|
| RefMet name | Carvone | |
| Systematic name | (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 150.104465 (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 | C10H14O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 28097 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1 | |
| InChIKey | ULDHMXUKGWMISQ-SECBINFHSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C=C(C)[C@@H]1CC=C(C)C(=O)C1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Prenol Lipids | |
| Main Class | Isoprenoids | |
| Sub Class | C10 isoprenoids | |
| Distribution of Carvone 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 Carvone | |
| External Links | ||
| Pubchem CID | 439570 | |
| LIPID MAPS | LMPR0102090007 | |
| ChEBI ID | 15400 | |
| KEGG ID | C01767 | |
| HMDB ID | HMDB0035089 | |
| Chemspider ID | 388655 | |
| MetaCyc ID | CPD-1089 | |
| EPA CompTox | DTXCID6027426 | |
| Spectral data for Carvone standards | ||
| BMRB ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
