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CHEBI:8179 - Phyllodulcin

ChEBI IDCHEBI:8179
ChEBI NamePhyllodulcin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCOc1ccc([C@H]2Cc3cccc(O)c3C(=O)O2)cc1O
InChIInChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1
InChIKeyPBILBHLAPJTJOT-CQSZACIVSA-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)
Phyllodulcin (CHEBI:8179) is a hydroxybenzoic acid (CHEBI:24676)
Synonym  Source
PhyllodulcinKEGG COMPOUND
Manual XrefsDatabases
C00002894KNApSAcK
C10274KEGG COMPOUND
Registry NumbersSources
CAS:21499-23-0KEGG COMPOUND