EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H32O15 |
| Net Charge | 0 |
| Average Mass | 692.626 |
| Monoisotopic Mass | 692.17412 |
| SMILES | COC(=O)c1cc(OC(=O)c2c(O)cc(C)cc2Oc2c(OC)cc(O)cc2C(=O)OC)cc(OC)c1Oc1cc(C)cc(O)c1C(=O)OC |
| InChI | InChI=1S/C35H32O15/c1-16-8-22(37)28(34(41)47-7)24(10-16)49-31-21(33(40)46-6)14-19(15-27(31)44-4)48-35(42)29-23(38)9-17(2)11-25(29)50-30-20(32(39)45-5)12-18(36)13-26(30)43-3/h8-15,36-38H,1-7H3 |
| InChIKey | IVXIKZPNFFNFSO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Geomycesspecies (ncbitaxon:1715258) | - | PubMed (18720971) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Geomycin A (CHEBI:214876) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [4-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-3-methoxy-5-methoxycarbonylphenyl] 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate |
| Manual Xrefs | Databases |
|---|---|
| 24710278 | ChemSpider |