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CHEBI:213004 - Xanthocillin-X monomethylether
| Formula | C19H14N2O2 |
| Net Charge | 0 |
| Average Mass | 302.333 |
| Monoisotopic Mass | 302.10553 |
| SMILES | [C-]#[N+]C(=C\c1ccc(O)cc1)/C(=C/c1ccc(OC)cc1)[N+]#[C-] |
| InChI | InChI=1S/C19H14N2O2/c1-20-18(12-14-4-8-16(22)9-5-14)19(21-2)13-15-6-10-17(23-3)11-7-15/h4-13,22H,3H3/b18-12-,19-13- |
| InChIKey | NIFGBMKUAMIQJA-BKHHGCLFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillusspecies (ncbitaxon:5065) | - | DOI (10.1016/s0040-4039(01)81412-x) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Xanthocillin-X monomethylether (CHEBI:213004) is a phenylpropanoid (CHEBI:26004) |
| IUPAC Name |
|---|
| 4-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol |
| Manual Xrefs | Databases |
|---|---|
| 4945250 | ChemSpider |