CHEBI:68202 - asperaculin A

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ChEBI Name asperaculin A
ChEBI ID CHEBI:68202
Definition A sesquiterpene lactone isolated from Aspergillus aculeatus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H20O5
Net Charge 0
Average Mass 280.31630
Monoisotopic Mass 280.13107
InChI InChI=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
InChIKey IOZFYMWZBPHFEH-WZQQFTANSA-N
SMILES CC1(C)C[C@]2(C)COC(=O)[C@H]3OC(=O)[C@]4(O)CC[C@@H]1C234
Metabolite of Species Details
Aspergillus aculeatus (NCBI:txid5053) Found in mycelium (BTO:0001436). MeOH extract of macerated mycelia of fungus isolated from sponge Xesto-spongia testudinaria of strain CRI323 04 See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
26633263 ChemSpider
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Registry Number Type Source
21729569 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21667999 PubMed citation Europe PMC
Last Modified
13 January 2014