RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0137278 | |
|---|---|---|
| RefMet name | Hymenoflorin | |
| Systematic name | (3aR,5R,5aR,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 280.131075 (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 | C15H20O5 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 69219 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C15H20O5/c1-8-5-11-10(15(19,7-16)13(18)20-11)6-14(2)9(8)3-4-12(14)17/h3-4,8-11,16,19H,5-7H2,1-2H3/t8-,9+,10+,11-,14+,15?/ m1/s1 | |
| InChIKey | CZSKPULURGIUQE-BOLSYAAGSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C[C@@H]1C[C@@H]2[C@H](C[C@@]3(C)[C@H]1C=CC3=O)C(CO)(C(=O)O2)O
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 Hymenoflorin 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 Hymenoflorin | |
| External Links | ||
| Pubchem CID | 442262 | |
| ChEBI ID | 5824 | |
| KEGG ID | C09480 | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
