EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:200286 - Ramalinic acid A
| Formula | C22H26O8 |
| Net Charge | 0 |
| Average Mass | 418.442 |
| Monoisotopic Mass | 418.16277 |
| SMILES | CCCc1cc(OC)cc(Oc2c(OC)cc(CCC)c(C(=O)O)c2O)c1C(=O)O |
| InChI | InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(17(12)21(24)25)30-20-16(29-4)10-13(8-6-2)18(19(20)23)22(26)27/h9-11,23H,5-8H2,1-4H3,(H,24,25)(H,26,27) |
| InChIKey | XIJCKILIISXBES-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ramalina (ncbitaxon:56479) | - | DOI (10.1016/j.phytol.2014.12.003) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ramalinic acid A (CHEBI:200286) is a phenylpropanoid (CHEBI:26004) |
| IUPAC Name |
|---|
| 3-(2-carboxy-5-methoxy-3-propylphenoxy)-2-hydroxy-4-methoxy-6-propylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436075 | ChemSpider |