EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H48O17 |
| Net Charge | 0 |
| Average Mass | 800.807 |
| Monoisotopic Mass | 800.28915 |
| SMILES | COc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(C)cc2OC)ccc1OC(COC(C)=O)C(OC(C)=O)c1cc(OC)c(OC(C)=O)c(OC)c1 |
| InChI | InChI=1S/C40H48O17/c1-21-14-31(47-8)40(32(15-21)48-9)57-36(20-52-23(3)42)37(53-24(4)43)27-12-13-29(30(16-27)46-7)56-35(19-51-22(2)41)38(54-25(5)44)28-17-33(49-10)39(55-26(6)45)34(18-28)50-11/h12-18,35-38H,19-20H2,1-11H3 |
| InChIKey | HMMPWXPXFRFWNZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| S b t G b e S5 (CHEBI:86936) is a phenylpropanoid (CHEBI:26004) |