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CHEBI:133856 - azanigerone E
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ChEBI Name
azanigerone E
ChEBI ID
CHEBI:133856
Definition
An azaphilone that is 6
H
-2-benzopyran-6,8(7
H
)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and hydroxy substituents at position 7.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Julian Brandl
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Formula
C13H14O5
Net Charge
0
Average Mass
250.248
Monoisotopic Mass
250.08412
InChI
InChI=1S/C13H14O5/c1-7(14)3-9-4-8-5-11(15)13(2,17)12(16)10(8)6-18-9/h4-7,14,17H,3H2,1-2H3
InChIKey
HKWLGNSOBJZTNG-UHFFFAOYSA-N
SMILES
C1=2C(=CC(C(C1=O)(O)C)=O)C=C(OC2)CC(C)O
Metabolite of Species
Details
Aspergillus niger ATCC 1015
(NCBI:txid380704)
See:
PubMed
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via
azaphilone
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
azanigerone E (
CHEBI:133856
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
azanigerone E (
CHEBI:133856
)
is a
β-diketone (
CHEBI:67265
)
azanigerone E (
CHEBI:133856
)
is a
2-benzopyran (
CHEBI:38444
)
azanigerone E (
CHEBI:133856
)
is a
azaphilone (
CHEBI:50941
)
azanigerone E (
CHEBI:133856
)
is a
cyclic ketone (
CHEBI:3992
)
azanigerone E (
CHEBI:133856
)
is a
polyketide (
CHEBI:26188
)
azanigerone E (
CHEBI:133856
)
is a
secondary alcohol (
CHEBI:35681
)
azanigerone E (
CHEBI:133856
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
azanigerone E (
CHEBI:133856
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6
H
-2-benzopyran-6,8(7
H
)-dione
Registry Number
Type
Source
22929037
Reaxys Registry Number
Reaxys
Citation
Type
Source
22921072
PubMed citation
Europe PMC
Last Modified
06 February 2018