CHEBI:9780 - Turgorin

ChEBI IDCHEBI:9780
ChEBI NameTurgorin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H15O13S
Net Charge-1
Average Mass411.317
Monoisotopic Mass411.02389
SMILESO=C(O)c1cc(O)c(O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
InChIInChI=1S/C13H16O13S/c14-5-1-4(12(19)20)2-6(15)11(5)26-13-10(18)9(17)8(16)7(25-13)3-24-27(21,22)23/h1-2,7-10,13-18H,3H2,(H,19,20)(H,21,22,23)/p-1/t7-,8-,9+,10-,13+/m1/s1
InChIKeyPCNPDUJUHNLVNS-YANYRWCTSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Turgorin (CHEBI:9780) is a trihydroxybenzoic acid (CHEBI:27115)
Synonym  Source
TurgorinKEGG COMPOUND
Manual XrefsDatabases
C10837KEGG COMPOUND
C00002679KNApSAcK
Registry NumbersSources
CAS:80220-30-0KEGG COMPOUND