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CHEBI:227065 - Tubingenoic anhydride A

Default Structure
ChEBI IDCHEBI:227065
ChEBI NameTubingenoic anhydride A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O3
Net Charge0
Average Mass196.246
Monoisotopic Mass196.10994
SMILESC=C1C(=O)OC(=O)[C@H]1CCCCCC
InChIInChI=1S/C11H16O3/c1-3-4-5-6-7-9-8(2)10(12)14-11(9)13/h9H,2-7H2,1H3/t9-/m0/s1
InChIKeyRQHWISSQTBJTCQ-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25257783)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tubingenoic anhydride A (CHEBI:227065) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
3-hexyl-4-methylideneoxolane-2,5-dione
Manual XrefsDatabases
34981152ChemSpider