EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H26O4 |
| Net Charge | 0 |
| Average Mass | 270.369 |
| Monoisotopic Mass | 270.18311 |
| SMILES | CC(=CCCC(C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C)C(=O)O |
| InChI | InChI=1S/C15H26O4/c1-10(13(16)17)6-5-8-15(4,19)12-7-9-14(3,18)11(12)2/h6,11-12,18-19H,5,7-9H2,1-4H3,(H,16,17)/t11-,12+,14+,15?/m0/s1 |
| InChIKey | ZPWDBKOJTSRRKI-KCGXDXBQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164) | - | PubMed (22840229) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ascotrichic acid (CHEBI:200771) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 6-hydroxy-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436669 | ChemSpider |