EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86937 - S c CA acetate

ChEBI IDCHEBI:86937
ChEBI NameS c CA acetate
Stars
DownloadsMolfile
FormulaC27H30O10
Net Charge0
Average Mass514.527
Monoisotopic Mass514.18390
SMILESCOc1cc(C2Oc3c(OC)cc(/C=C/COC(C)=O)cc3C2COC(C)=O)cc(OC)c1OC(C)=O
InChIInChI=1S/C27H30O10/c1-15(28)34-9-7-8-18-10-20-21(14-35-16(2)29)25(37-26(20)22(11-18)31-4)19-12-23(32-5)27(36-17(3)30)24(13-19)33-6/h7-8,10-13,21,25H,9,14H2,1-6H3/b8-7+
InChIKeyZAWLAKPCCSQTPC-BQYQJAHWSA-N
ChEBI Ontology
Outgoing Relation(s)
S c CA acetate (CHEBI:86937) is a benzofurans (CHEBI:35259)