EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14O8 |
| Net Charge | 0 |
| Average Mass | 334.280 |
| Monoisotopic Mass | 334.06887 |
| SMILES | COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)[C@H](OC)[C@H](C)OC3=O |
| InChI | InChI=1S/C16H14O8/c1-5-15(23-3)10-11(16(21)24-5)13(19)8-6(17)4-7(22-2)12(18)9(8)14(10)20/h4-5,15,19-20H,1-3H3/t5-,15+/m0/s1 |
| InChIKey | WPHIVUBMBWBSCK-AANKLQPISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ophioparma ventosa (ncbitaxon:145978) | - | PubMed (26934105) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S,4S)-4-methoxyhaemoventosin (CHEBI:227420) is a quinone (CHEBI:36141) |
| IUPAC Name |
|---|
| (3S,4S)-5,10-dihydroxy-4,7-dimethoxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,9-trione |
| Manual Xrefs | Databases |
|---|---|
| 78438875 | ChemSpider |