EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86927 - S b CA acetate

ChEBI IDCHEBI:86927
ChEBI NameS b CA acetate
Stars
DownloadsMolfile
FormulaC29H34O12
Net Charge0
Average Mass574.579
Monoisotopic Mass574.20503
SMILESCOc1cc(/C=C/COC(C)=O)ccc1OC(COC(C)=O)C(OC(C)=O)c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C29H34O12/c1-17(30)37-12-8-9-21-10-11-23(24(13-21)34-5)41-27(16-38-18(2)31)28(39-19(3)32)22-14-25(35-6)29(40-20(4)33)26(15-22)36-7/h8-11,13-15,27-28H,12,16H2,1-7H3/b9-8+
InChIKeyYQRMWUHWJFGRGP-CMDGGOBGSA-N
ChEBI Ontology
Outgoing Relation(s)
S b CA acetate (CHEBI:86927) has functional parent tetracarboxylic acid (CHEBI:35742)
S b CA acetate (CHEBI:86927) is a organooxygen compound (CHEBI:36963)