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> Main
CHEBI:133762 - asperpyrone C
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ChEBI Ontology
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ChEBI Name
asperpyrone C
ChEBI ID
CHEBI:133762
Definition
A dimeric naphthopyran with formula C
32
H
26
O
10
, originally isolated from
Aspergillus niger
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Julian Brandl
Supplier Information
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Formula
C32H26O10
Net Charge
0
Average Mass
570.544
Monoisotopic Mass
570.15260
InChI
InChI=1S/C32H26O10/c1-
13-
7-
18(33)
26-
22(41-
13)
10-
15-
9-
20(38-
4)
28(31(40-
6)
23(15)
29(26)
35)
25-
17-
11-
16(37-
3)
12-
21(39-
5)
24(17)
32-
27(30(25)
36)
19(34)
8-
14(2)
42-
32/h7-
12,35-
36H,1-
6H3
InChIKey
YVLPJBAIVAPEFU-UHFFFAOYSA-N
SMILES
O1C=2C3=C(C(C4=C(OC)C=5C(C=C4OC)=CC=6OC(=CC(=O)C6C5O)C)=C(O)C2C(=O)C=C1C)C=C(OC)C=C3OC
Metabolite of Species
Details
Aspergillus niger ATCC 1015
(NCBI:txid380704)
of strain ATCC 11414 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
asperpyrone C (
CHEBI:133762
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
asperpyrone C (
CHEBI:133762
)
is a
aromatic ether (
CHEBI:35618
)
asperpyrone C (
CHEBI:133762
)
is a
aromatic ketone (
CHEBI:76224
)
asperpyrone C (
CHEBI:133762
)
is a
biaryl (
CHEBI:64459
)
asperpyrone C (
CHEBI:133762
)
is a
cyclic ketone (
CHEBI:3992
)
asperpyrone C (
CHEBI:133762
)
is a
naphtho-γ-pyrone (
CHEBI:64542
)
asperpyrone C (
CHEBI:133762
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
5-
hydroxy-
7-
(5-
hydroxy-
8,10-
dimethoxy-
2-
methyl-
4-
oxo-
4
H
-
naphtho[1,2-
b
]pyran-
6-
yl)-
6,8-
dimethoxy-
2-
methyl-
4
H
-
naphtho[2,3-
b
]pyran-
4-
one
Manual Xrefs
Databases
10995389
PubChem
C00044552
KNApSAcK
View more database links
Registry Numbers
Types
Sources
491869-00-2
CAS Registry Number
KNApSAcK
9460647
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12542363
PubMed citation
Europe PMC
21176790
PubMed citation
Europe PMC
27063778
PubMed citation
Europe PMC
Last Modified
08 November 2016