EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216335 - Aspergoterpenin A

ChEBI IDCHEBI:216335
ChEBI NameAspergoterpenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC[C@@]12CCC[C@@](C)(O1)c1ccc(C(=O)O)cc1O2
InChIInChI=1S/C14H16O4/c1-13-6-3-7-14(2,18-13)17-11-8-9(12(15)16)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)/t13-,14+/m1/s1
InChIKeyGTKQSGJQKFIMAB-KGLIPLIRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (29843405)
ChEBI Ontology
Outgoing Relation(s)
Aspergoterpenin A (CHEBI:216335) is a ketal (CHEBI:59777)
IUPAC Name 
(1R,9R)-1,9-dimethyl-8,13-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carboxylic acid