RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0135319 | |
|---|---|---|
| RefMet name | Limonene | |
| Systematic name | (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 136.125200 (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 | C10H16 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 28101 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1 | |
| InChIKey | XMGQYMWWDOXHJM-JTQLQIEISA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C=C(C)[C@H]1CC=C(C)CC1
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 Limonene 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 Limonene | |
| External Links | ||
| Pubchem CID | 440917 | |
| LIPID MAPS | LMPR0102090013 | |
| ChEBI ID | 15382 | |
| KEGG ID | C00521 | |
| HMDB ID | HMDB0003375 | |
| Chemspider ID | 389747 | |
| MetaCyc ID | CPD-8785 | |
| EPA CompTox | DTXCID209612 | |
| Spectral data for Limonene standards | ||
| NP-MRD 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) | |
