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CHEBI:209370 - Asperpene A

Default Structure
ChEBI IDCHEBI:209370
ChEBI NameAsperpene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC[C@@]1(C(=O)O)C[C@H]2C=C(C(=O)O)[C@@H]3CC[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H20O4/c1-14(13(18)19)6-8-5-9(12(16)17)10-3-4-15(10,2)11(8)7-14/h5,8,10-11H,3-4,6-7H2,1-2H3,(H,16,17)(H,18,19)/t8-,10+,11+,14-,15+/m1/s1
InChIKeyIPGWJKFNMYXJRY-ZJRUXDJCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30486303)
ChEBI Ontology
Outgoing Relation(s)
Asperpene A (CHEBI:209370) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2aR,4aS,6R,7aS,7bR)-6,7b-dimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene-3,6-dicarboxylic acid
Manual XrefsDatabases
71048664ChemSpider