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CHEBI:218352 - 4-O-Methylphysodic acid
| Formula | C27H32O8 |
| Net Charge | 0 |
| Average Mass | 484.545 |
| Monoisotopic Mass | 484.20972 |
| SMILES | CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2 |
| InChI | InChI=1S/C27H32O8/c1-4-6-8-10-17(28)12-16-13-18(33-3)14-21-23(16)27(32)35-22-15-20(29)24(26(30)31)19(25(22)34-21)11-9-7-5-2/h13-15,29H,4-12H2,1-3H3,(H,30,31) |
| InChIKey | VFRGAVOQEJKXDU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hypogymnia (ncbitaxon:87258) | - | PubMed (26342621) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-O-Methylphysodic acid (CHEBI:218352) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 3-hydroxy-9-methoxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78435870 | ChemSpider |