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CHEBI:206597 - Coriolopsin A

Default Structure
ChEBI IDCHEBI:206597
ChEBI NameCoriolopsin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC[C@@H]1CC[C@@H]2C(=O)OC(=O)C2=C2CC(C)(C)C[C@@H]21
InChIInChI=1S/C15H20O3/c1-8-4-5-9-12(14(17)18-13(9)16)11-7-15(2,3)6-10(8)11/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyXISBONUQWBGHLA-KXUCPTDWSA-N
Species of MetaboliteComponentSourceComments
Coriolopsis (ncbitaxon:76125) - DOI (10.1016/j.cclet.2016.07.019)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Coriolopsin A (CHEBI:206597) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(3aS,6R,6aR)-6,8,8-trimethyl-4,5,6,6a,7,9-hexahydro-3aH-azuleno[4,5-c]uran-1,3-dione
Manual XrefsDatabases
61708721ChemSpider