EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:202809 - (-)-bipolaride A
| Formula | C19H18O6 |
| Net Charge | 0 |
| Average Mass | 342.347 |
| Monoisotopic Mass | 342.11034 |
| SMILES | COc1cc(C)c2c3c(c(O)c4c2c1OC(=O)C4=O)C(C)(C)[C@H](C)O3 |
| InChI | InChI=1S/C19H18O6/c1-7-6-9(23-5)16-11-10(7)17-13(19(3,4)8(2)24-17)14(20)12(11)15(21)18(22)25-16/h6,8,20H,1-5H3/t8-/m0/s1 |
| InChIKey | XTOGGOWRLZMOAR-QMMMGPOBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lophiostoma (ncbitaxon:45148) | - | PubMed (26582262) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (-)-bipolaride A (CHEBI:202809) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| (12S)-15-hydroxy-6-methoxy-8,12,13,13-tetramethyl-4,11-dioxatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14)-pentaene-2,3-dione |
| Manual Xrefs | Databases |
|---|---|
| 44210982 | ChemSpider |