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CHEBI:9220 - Sphagnum acid

ChEBI IDCHEBI:9220
ChEBI NameSphagnum acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESO=C(O)/C=C(\CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H10O5/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-5,12H,6H2,(H,13,14)(H,15,16)/b8-5+
InChIKeyVOWYJJSQRYBVGK-VMPITWQZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sphagnum acid (CHEBI:9220) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
Sphagnum acidKEGG COMPOUND
Manual XrefsDatabases
C00002779KNApSAcK
C10496KEGG COMPOUND
Registry NumbersSources
CAS:57100-28-4KEGG COMPOUND