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 (1E,3E,5R,6S)-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
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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.
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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-[(1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
Synonyms Sources
(−)-2-[(1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde ChEBI
(−)-pyriculariol ChEBI
pyriculariol UniProt
Manual Xref Database
C00023717 KNApSAcK
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Citations Waiting for 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.