EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H18O6 |
| Net Charge | 0 |
| Average Mass | 294.303 |
| Monoisotopic Mass | 294.11034 |
| SMILES | COc1cc(O)c2c(c1)[C@H]1C[C@@H](O)[C@H](O)C[C@]1(C)OC2=O |
| InChI | InChI=1S/C15H18O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-4,9-10,12,16-18H,5-6H2,1-2H3/t9-,10-,12-,15+/m1/s1 |
| InChIKey | HDWRQDAKGPKDFF-NOBRSGAKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alternariaspecies Samif01 (ncbitaxon:1378256) | - | PubMed (27388053) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-epi-dihydroaltenuene A (CHEBI:220156) is a 2-benzopyran (CHEBI:38444) |
| IUPAC Name |
|---|
| (2R,3R,4aS,10bR)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,10b-tetrahydro-1H-benzo[c]chromen-6-one |
| Manual Xrefs | Databases |
|---|---|
| 78439546 | ChemSpider |