CHEBI:216335 - Aspergoterpenin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aspergoterpenin A
ChEBI ID CHEBI:216335
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O4
Net Charge 0
Average Mass 248.278
Monoisotopic Mass 248.10486
InChI InChI=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
InChIKey GTKQSGJQKFIMAB-KGLIPLIRSA-N
SMILES O=C(O)C1=CC=2O[C@]3(O[C@@](C2C=C1)(CCC3)C)C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: PubMed
ChEBI Ontology
Outgoing 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