EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H26O2 |
| Net Charge | 0 |
| Average Mass | 310.437 |
| Monoisotopic Mass | 310.19328 |
| SMILES | C=C(C#Cc1cc(O)ccc1O)CC/C=C(\C)CCC=C(C)C |
| InChI | InChI=1S/C21H26O2/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22)13-14-21(19)23/h7,9,13-15,22-23H,4-6,8,10H2,1-3H3/b17-9+ |
| InChIKey | WXUBHLFYGYMBEU-RQZCQDPDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pestalotiopsis neglecta (ncbitaxon:173184) | - | PubMed (32283019) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pestalotioquinol E (CHEBI:226162) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 2-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dien-1-ynyl]benzene-1,4-diol |
| Manual Xrefs | Databases |
|---|---|
| 85696889 | ChemSpider |