EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208617 - Agonodepside B

Default Structure
ChEBI IDCHEBI:208617
ChEBI NameAgonodepside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O7
Net Charge0
Average Mass426.465
Monoisotopic Mass426.16785
SMILESC/C=C(\C)c1cc(O)c(C)c(O)c1C(=O)Oc1cc(/C(C)=C/C)c(C(=O)O)c(O)c1C
InChIInChI=1S/C24H26O7/c1-7-11(3)15-9-17(25)13(5)21(26)20(15)24(30)31-18-10-16(12(4)8-2)19(23(28)29)22(27)14(18)6/h7-10,25-27H,1-6H3,(H,28,29)/b11-7+,12-8+
InChIKeyLFTHRDXERPBJOF-MKICQXMISA-N
ChEBI Ontology
Outgoing Relation(s)
Agonodepside B (CHEBI:208617) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
6-[(E)-but-2-en-2-yl]-4-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid
Manual XrefsDatabases
552214ChemSpider