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> Main
CHEBI:69023 - preaustinoid A
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ChEBI Ontology
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ChEBI Name
preaustinoid A
ChEBI ID
CHEBI:69023
Definition
A meroterpenoid found in
Penicillium rubrum
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H36O6
Net Charge
0
Average Mass
444.568
Monoisotopic Mass
444.25119
InChI
InChI=1S/C26H36O6/c1-
14-
23(5)
13-
16-
22(4)
11-
10-
17(27)
21(2,3)
15(22)
9-
12-
24(16,6)
26(14,20(30)
32-
8)
19(29)
25(7,31)
18(23)
28/h15-
16,31H,1,9-
13H2,2-
8H3/t15-
,16+,22-
,23-
,24+,25+,26+/m1/s1
InChIKey
IRPHRMHQEPXQQF-RFMSQVAGSA-N
SMILES
[H]
[C@]
12CC[C@@]
3(C)
[C@@]
([H]
)
(C[C@]
4(C)
C(=C)
[C@@]
3(C(=O)
OC)
C(=O)
[C@@]
(C)
(O)
C4=O)
[C@]
1(C)
CCC(=O)
C2(C)
C
Metabolite of Species
Details
Penicillium rubrum
(NCBI:txid1266769)
Chloroform extract See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
meroterpenoid
)
Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in
Penicillium
.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
preaustinoid A (
CHEBI:69023
)
has role
Penicillium
metabolite (
CHEBI:76964
)
preaustinoid A (
CHEBI:69023
)
has role
antibacterial agent (
CHEBI:33282
)
preaustinoid A (
CHEBI:69023
)
has role
metabolite (
CHEBI:25212
)
preaustinoid A (
CHEBI:69023
)
is a
carbopolycyclic compound (
CHEBI:35294
)
preaustinoid A (
CHEBI:69023
)
is a
carboxylic ester (
CHEBI:33308
)
preaustinoid A (
CHEBI:69023
)
is a
cyclic terpene ketone (
CHEBI:36130
)
preaustinoid A (
CHEBI:69023
)
is a
meroterpenoid (
CHEBI:64419
)
preaustinoid A (
CHEBI:69023
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
preaustinoid A (
CHEBI:69023
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
methyl (4a
S
,6a
S
,7
R
,9
S
,11
R
,12a
S
,12b
S
)-
9-
hydroxy-
4,4,6a,9,11,12b-
hexamethyl-
13-
methylidene-
3,8,10-
trioxotetradecahydro-
7,11-
methanocycloocta[
a
]naphthalene-
7(2
H
)-
carboxylate
Synonym
Source
preaustinoid A
UniProt
Registry Number
Type
Source
9304223
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12453515
PubMed citation
Europe PMC
21581839
PubMed citation
Europe PMC
21916432
PubMed citation
Europe PMC
23865690
PubMed citation
Europe PMC
27809506
PubMed citation
Europe PMC
Last Modified
20 August 2020
General Comment
2020-08-20
Structure updated as a result of PMID:23865690