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CHEBI:200091 - Squarrosidine
| Formula | C27H20O9 |
| Net Charge | 0 |
| Average Mass | 488.448 |
| Monoisotopic Mass | 488.11073 |
| SMILES | O=c1oc(/C=C/c2ccc(O)cc2)cc(O)c1Cc1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O |
| InChI | InChI=1S/C27H20O9/c28-17-6-1-15(2-7-17)3-8-18-12-23(30)20(26(33)35-18)14-21-24(31)13-19(36-27(21)34)9-4-16-5-10-22(29)25(32)11-16/h1-13,28-32H,14H2/b8-3+,9-4+ |
| InChIKey | JHIQFXAUIGSZJC-BQYBEJQRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pholiota squarrosa (ncbitaxon:75321) | - | DOI (10.1002/ejoc.200700090) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Squarrosidine (CHEBI:200091) is a catechols (CHEBI:33566) |
| IUPAC Name |
|---|
| 3-[[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]methyl]-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one |
| Manual Xrefs | Databases |
|---|---|
| 28284173 | ChemSpider |