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CHEBI:60108 - 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate

ChEBI IDCHEBI:60108
ChEBI Name3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate
Stars
ASCII Name3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate
DefinitionThe conjugate base of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid; major species at pH 7.3.
Last Modified24 August 2010
SubmitterSteve
DownloadsMolfile
FormulaC9H9O4
Net Charge-1
Average Mass181.167
Monoisotopic Mass181.05063
SMILES[H]C(C(=O)[O-])=C([H])C1=CC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,7,9-10,13H,(H,11,12)/p-1/t7-,9+/m0/s1
InChIKeyAEUBLTTWYCDTGM-IONNQARKSA-M
ChEBI Ontology
Outgoing Relation(s)
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:60108) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:60108) is conjugate base of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid (CHEBI:49071)
Incoming Relation(s)
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:61451) is a 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:60108)
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid (CHEBI:49071) is conjugate acid of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:60108)
IUPAC Name 
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]prop-2-enoate
Synonym  Source
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate anionChEBI