EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C37H64O16 |
| Net Charge | 0 |
| Average Mass | 764.903 |
| Monoisotopic Mass | 764.41944 |
| SMILES | CCC(C)C(OC(C)=O)C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OCC(O)C(O)C(O)CO)C(C)CC)C(C)CC)C(C)CC)C(C)CC |
| InChI | InChI=1S/C37H64O16/c1-12-19(6)28(33(43)48-18-26(41)27(42)25(40)17-38)50-35(45)30(21(8)14-3)52-37(47)32(23(10)16-5)53-36(46)31(22(9)15-4)51-34(44)29(20(7)13-2)49-24(11)39/h19-23,25-32,38,40-42H,12-18H2,1-11H3 |
| InChIKey | YJXRPXBRYBCYRH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [3-Methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate (CHEBI:182591) has functional parent pentacarboxylic acid (CHEBI:35743) |
| [3-Methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate (CHEBI:182591) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| [3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoate |