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> Main
CHEBI:133758 - fonsecinone B
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ChEBI Name
fonsecinone B
ChEBI ID
CHEBI:133758
Definition
A dimeric naphthopyran with formula C
32
H
28
O
11
, 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
C32H28O11
Net Charge
0
Average Mass
588.559
Monoisotopic Mass
588.16316
InChI
InChI=1S/C32H28O11/c1-
13-
7-
17(33)
25-
21(42-
13)
9-
14-
8-
19(39-
4)
27(30(41-
6)
22(14)
28(25)
35)
24-
16-
10-
15(38-
3)
11-
20(40-
5)
23(16)
29(36)
26-
18(34)
12-
32(2,37)
43-
31(24)
26/h7-
11,35-
37H,12H2,1-
6H3
InChIKey
AMDZXTMMLFPGSD-UHFFFAOYSA-N
SMILES
C=1(C2=C(C=C(C1)OC)C(=C3C(=C2O)C(CC(O3)(C)O)=O)C=4C(=C5C(=CC4OC)C=C6C(=C5O)C(C=C(O6)C)=O)OC)OC
Metabolite of Species
Details
Aspergillus niger ATCC 1015
(NCBI:txid380704)
of strain ATCC 11414 See:
PubMed
Aspergillus fonsecaeus
of strain NRRL67 See:
DOI
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
fonsecinone B (
CHEBI:133758
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
fonsecinone B (
CHEBI:133758
)
is a
aromatic ether (
CHEBI:35618
)
fonsecinone B (
CHEBI:133758
)
is a
aromatic ketone (
CHEBI:76224
)
fonsecinone B (
CHEBI:133758
)
is a
biaryl (
CHEBI:64459
)
fonsecinone B (
CHEBI:133758
)
is a
cyclic hemiketal (
CHEBI:59780
)
fonsecinone B (
CHEBI:133758
)
is a
cyclic ketone (
CHEBI:3992
)
fonsecinone B (
CHEBI:133758
)
is a
naphtho-γ-pyrone (
CHEBI:64542
)
fonsecinone B (
CHEBI:133758
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
2',5,5'-
trihydroxy-
6,6',8,8'-
tetramethoxy-
2,2'-
dimethyl-
2',3'-
dihydro-
4
H
,4'
H
-
[7,10'-
binaphtho[2,3-
b
]pyran]-
4,4'-
dione
Manual Xref
Database
HMDB0033768
HMDB
View more database links
Registry Numbers
Types
Sources
5209919
Reaxys Registry Number
Reaxys
95152-76-4
CAS Registry Number
HMDB
Citation
Type
Source
21176790
PubMed citation
Europe PMC
Last Modified
01 November 2016