EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:166607 - 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
| Formula | C18H12O8 |
| Net Charge | 0 |
| Average Mass | 356.286 |
| Monoisotopic Mass | 356.05322 |
| SMILES | COc1cc2oc(=O)c3c4cc5c(cc4oc3c2c(OC)c1O)OCO5 |
| InChI | InChI=1S/C18H12O8/c1-21-12-5-11-14(17(22-2)15(12)19)16-13(18(20)26-11)7-3-9-10(24-6-23-9)4-8(7)25-16/h3-5,19H,6H2,1-2H3 |
| InChIKey | POCRQIUFZUZJBZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan (CHEBI:166607) is a coumestans (CHEBI:72577) |
| IUPAC Name |
|---|
| 15-hydroxy-14,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one |
| Manual Xrefs | Databases |
|---|---|
| LMPK12090048 | LIPID MAPS |
| 24843119 | ChemSpider |