EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H12O7 |
| Net Charge | 0 |
| Average Mass | 340.287 |
| Monoisotopic Mass | 340.05830 |
| SMILES | [H][C@]12OCC[C@@]1([H])c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 |
| InChI | InChI=1S/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/t7-,18+/m0/s1 |
| InChIKey | BABJNKGTTYCTOO-ULCDLSAGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus parasiticus (ncbitaxon:5067) | - | PubMed (15184162) |
| Roles Classification |
|---|
| Biological Role: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| versicolorin B (CHEBI:72674) has role Aspergillus metabolite (CHEBI:76956) |
| versicolorin B (CHEBI:72674) is a p-quinones (CHEBI:25830) |
| versicolorin B (CHEBI:72674) is a cyclic acetal (CHEBI:59770) |
| versicolorin B (CHEBI:72674) is a organic heteropentacyclic compound (CHEBI:38164) |
| versicolorin B (CHEBI:72674) is a polyphenol (CHEBI:26195) |
| versicolorin B (CHEBI:72674) is conjugate acid of versicolorin B(1−) (CHEBI:77951) |
| Incoming Relation(s) |
| versicolorin B(1−) (CHEBI:77951) is conjugate base of versicolorin B (CHEBI:72674) |
| IUPAC Name |
|---|
| (3aS,12aR)-4,6,8-trihydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione |
| Citations |
|---|