EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C34H22O9 |
| Net Charge | 0 |
| Average Mass | 574.541 |
| Monoisotopic Mass | 574.12638 |
| SMILES | Cc1cc2c3c(c1O)-c1ccc(O)cc1OC3(c1ccc(O)cc1O)Oc1cc(-c3cc4cccc(O)c4o3)cc(O)c1-2 |
| InChI | InChI=1S/C34H22O9/c1-15-9-21-29-25(39)10-17(26-11-16-3-2-4-23(37)33(16)41-26)12-28(29)43-34(22-8-6-18(35)13-24(22)38)31(21)30(32(15)40)20-7-5-19(36)14-27(20)42-34/h2-14,35-40H,1H3 |
| InChIKey | FWGPZPDSNMFTHJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Mulberrofuran P (CHEBI:176230) is a benzofurans (CHEBI:35259) |
| IUPAC Name |
|---|
| 1-(2,4-dihydroxyphenyl)-17-(7-hydroxy-1-benzouran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene-5,10,15-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029235 | HMDB |
| 35032842 | ChemSpider |