EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H22O6 |
| Net Charge | 0 |
| Average Mass | 298.335 |
| Monoisotopic Mass | 298.14164 |
| SMILES | CC(O)(CO)CCC[C@](C)(O)c1ccc(C(=O)O)cc1O |
| InChI | InChI=1S/C15H22O6/c1-14(20,9-16)6-3-7-15(2,21)11-5-4-10(13(18)19)8-12(11)17/h4-5,8,16-17,20-21H,3,6-7,9H2,1-2H3,(H,18,19)/t14?,15-/m0/s1 |
| InChIKey | CYAWKJKAMCXLET-LOACHALJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Scopulariopsisspecies (ncbitaxon:2006378) | - | DOI (10.1016/j.tet.2016.03.073) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11,12-dihydroxysydonic acid (CHEBI:199537) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 3-hydroxy-4-[(2S)-2,6,7-trihydroxy-6-methylheptan-2-yl]benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 58196695 | ChemSpider |