EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:215772 - Aurachin H
| Formula | C25H33NO3 |
| Net Charge | 0 |
| Average Mass | 395.543 |
| Monoisotopic Mass | 395.24604 |
| SMILES | CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1Cc2c(c3ccccc3[n+]([O-])c2C)O1 |
| InChI | InChI=1S/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-19(4)26(28)22-14-7-6-13-20(22)24(21)29-23/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+/t23-,25+/m0/s1 |
| InChIKey | HOLWWQAFDQGMEK-QOSXKSOISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stigmatella aurantiaca Sg a15 (ncbitaxon:675526) | - | PubMed (18989924) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aurachin H (CHEBI:215772) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| (2R,5E)-6,10-dimethyl-2-[(2S)-4-methyl-5-oxido-2,3-dihydrouro[3,2-c]quinolin-5-ium-2-yl]undeca-5,9-dien-2-ol |
| Manual Xrefs | Databases |
|---|---|
| 78437546 | ChemSpider |