EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86639 - G b SA acetate

ChEBI IDCHEBI:86639
ChEBI NameG b SA acetate
Stars
DownloadsMolfile
FormulaC29H34O12
Net Charge0
Average Mass574.579
Monoisotopic Mass574.20503
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(/C=C/COC(C)=O)cc2OC)ccc1OC(C)=O
InChIInChI=1S/C29H34O12/c1-17(30)37-12-8-9-21-13-25(35-6)29(26(14-21)36-7)41-27(16-38-18(2)31)28(40-20(4)33)22-10-11-23(39-19(3)32)24(15-22)34-5/h8-11,13-15,27-28H,12,16H2,1-7H3/b9-8+
InChIKeyPJWAUHFZBQWVIJ-CMDGGOBGSA-N
ChEBI Ontology
Outgoing Relation(s)
G b SA acetate (CHEBI:86639) has functional parent tetracarboxylic acid (CHEBI:35742)
G b SA acetate (CHEBI:86639) is a organooxygen compound (CHEBI:36963)