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CHEBI:68202 - asperaculin A

ChEBI IDCHEBI:68202
ChEBI Nameasperaculin A
Stars
DefinitionA sesquiterpene lactone isolated from Aspergillus aculeatus.
Last Modified13 January 2014
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILES[H][C@]12CC[C@@]3(O)C(=O)O[C@]4([H])C(=O)OC[C@@](C)(CC1(C)C)C234
InChIInChI=1S/C15H20O5/c1-12(2)6-13(3)7-19-10(16)9-15(13)8(12)4-5-14(15,18)11(17)20-9/h8-9,18H,4-7H2,1-3H3/t8-,9+,13+,14+,15?/m0/s1
InChIKeyIOZFYMWZBPHFEH-WZQQFTANSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) mycelium (BTO:0001436) PubMed (21667999) MeOH extract of macerated mycelia of fungus isolated from sponge Xesto-spongia testudinaria Strain: CRI323 04
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
asperaculin A (CHEBI:68202) has role Aspergillus metabolite (CHEBI:76956)
asperaculin A (CHEBI:68202) is a organic heterotetracyclic compound (CHEBI:38163)
asperaculin A (CHEBI:68202) is a sesquiterpene lactone (CHEBI:37667)
asperaculin A (CHEBI:68202) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
rel-(2aS,4aS,6aS,9aS)-2a-hydroxy-5,5,6a-trimethyloctahydro-2H-1,8-dioxapentaleno[1,6-cd]indene-2,9(9aH)-dione
Manual XrefsDatabases
26633263ChemSpider
Registry NumbersSources
Reaxys:21729569Reaxys
Citations