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CHEBI:49009 - (1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid

Default Structure
ChEBI IDCHEBI:49009
ChEBI Name(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
Stars
ASCII Name(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
Last Modified14 April 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESCC1=C[C@@H](O)[C@](O)(C(=O)O)C=C1
InChIInChI=1S/C8H10O4/c1-5-2-3-8(12,7(10)11)6(9)4-5/h2-4,6,9,12H,1H3,(H,10,11)/t6-,8+/m1/s1
InChIKeyKWQSYZVAOWYCNP-SVRRBLITSA-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)
(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49009) is a cis-1,6-dihydroxy-4-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:17095)
(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49009) is enantiomer of (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49008)
Incoming Relation(s)
(1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49008) is enantiomer of (1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CHEBI:49009)
IUPAC Name 
(1S,6R)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid