EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203279 - Decarboxydihydrocitrinone

ChEBI IDCHEBI:203279
ChEBI NameDecarboxydihydrocitrinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCc1c(O)cc(O)c2c1[C@H](C)[C@@H](C)OC2=O
InChIInChI=1S/C12H14O4/c1-5-7(3)16-12(15)11-9(14)4-8(13)6(2)10(5)11/h4-5,7,13-14H,1-3H3/t5-,7-/m1/s1
InChIKeyPPEPKULENIXILK-IYSWYEEDSA-N
Species of MetaboliteComponentSourceComments
Penicillium odoratum (ncbitaxon:1167516) - PubMed (7349286)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Decarboxydihydrocitrinone (CHEBI:203279) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
23076343ChemSpider