EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H18O4 |
| Net Charge | 0 |
| Average Mass | 262.305 |
| Monoisotopic Mass | 262.12051 |
| SMILES | CC(O)[C@@H]1C=Cc2cccc3c2C(CC(C)(O)O3)O1 |
| InChI | InChI=1S/C15H18O4/c1-9(16)11-7-6-10-4-3-5-12-14(10)13(18-11)8-15(2,17)19-12/h3-7,9,11,13,16-17H,8H2,1-2H3/t9?,11-,13?,15?/m0/s1 |
| InChIKey | BRLOTCHTPWDGFW-OXSRTXBGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis (ncbitaxon:37840) | - | PubMed (31336683) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Heterocornol P (CHEBI:206094) is a 1-benzopyran (CHEBI:38443) |
| IUPAC Name |
|---|
| (12S)-12-(1-hydroxyethyl)-3-methyl-4,13-dioxatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraen-3-ol |
| Manual Xrefs | Databases |
|---|---|
| 77089207 | ChemSpider |