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ChEBI
> Main
CHEBI:68202 - asperaculin A
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ChEBI Ontology
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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.
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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
-
(2a
S
,4a
S
,6a
S
,9a
S
)-
2a-
hydroxy-
5,5,6a-
trimethyloctahydro-
2
H
-
1,8-
dioxapentaleno[1,6-
cd
]indene-
2,9(9a
H
)-
dione
Manual Xref
Database
26633263
ChemSpider
View more database links
Registry Number
Type
Source
21729569
Reaxys Registry Number
Reaxys
Citation
Type
Source
21667999
PubMed citation
Europe PMC
Last Modified
13 January 2014