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CHEBI:142636 - pyriculariol

ChEBI IDCHEBI:142636
ChEBI Namepyriculariol
Stars
DefinitionA 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.
Last Modified11 December 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILES[H]C(=O)c1c(O)cccc1/C=C/C=C/[C@@H](O)[C@H](C)O
InChIInChI=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
InChIKeyUPAHLPUINKDRNK-BZUCXLHXSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
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  Source
(−)-pyriculariolChEBI
(−)-2-[(1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehydeChEBI
UniProt Name  Source
pyriculariolUniProt
Manual XrefsDatabases
C00023717KNApSAcK
Citations