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> Main
CHEBI:142636 - pyriculariol
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ChEBI Name
pyriculariol
ChEBI ID
CHEBI:142636
Definition
A member of the class of benzaldehydes that is salicylaldehyde which is substituted at position 6 by a (1
E
,3
E
,5
R
,6
S
)-5,6-dihydroxyhepta-1,3-dien-1-yl group. An isomer of pyriculol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
Download
Molfile
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Molfile
Formula
C14H16O4
Net Charge
0
Average Mass
248.275
Monoisotopic Mass
248.10486
InChI
InChI=1S/C14H16O4/c1-
10(16)
13(17)
7-
3-
2-
5-
11-
6-
4-
8-
14(18)
12(11)
9-
15/h2-
10,13,16-
18H,1H3/b5-
2+,7-
3+/t10-
,13+/m0/s1
InChIKey
UPAHLPUINKDRNK-BZUCXLHXSA-N
SMILES
C1=CC=C(C(=C1/C=C/C=C/[C@H]([C@H](C)O)O)C([H])=O)O
Roles Classification
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pyriculariol (
CHEBI:142636
)
has role
fungal metabolite (
CHEBI:76946
)
pyriculariol (
CHEBI:142636
)
is a
benzaldehydes (
CHEBI:22698
)
pyriculariol (
CHEBI:142636
)
is a
heptaketide (
CHEBI:59872
)
pyriculariol (
CHEBI:142636
)
is a
homoallylic alcohol (
CHEBI:134362
)
pyriculariol (
CHEBI:142636
)
is a
phenols (
CHEBI:33853
)
pyriculariol (
CHEBI:142636
)
is a
secondary allylic alcohol (
CHEBI:134396
)
pyriculariol (
CHEBI:142636
)
is a
triol (
CHEBI:27136
)
IUPAC Name
2-[(1
E
,3
E
,5
R
,6
S
)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
Synonyms
Sources
(−)-
2-
[(1
E
,3
E
,5
R
,6
S
)-
5,6-
dihydroxyhepta-
1,3-
dien-
1-
yl]-
6-
hydroxybenzaldehyde
ChEBI
(−)-pyriculariol
ChEBI
pyriculariol
UniProt
Manual Xref
Database
C00023717
KNApSAcK
View more database links
Citations
Types
Sources
27902426
PubMed citation
SUBMITTER
IND81120586
Agricola citation
Europe PMC
Last Modified
11 December 2018
General Comment
2018-12-11
For synthesis and absolute configuration, see Tetrahedron Lett., 2009, v50(32), 4637-4638.