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CHEBI:65779 - 2,5-dihydroxy-3-methanesulfinylbenzyl alcohol

Default Structure
ChEBI IDCHEBI:65779
ChEBI Name2,5-dihydroxy-3-methanesulfinylbenzyl alcohol
Stars
DefinitionA benzyl alcohol with hydroxy substituents at positions 2 and 5 and a methanesulfinyl group at position 3. It is a fungal secondary metabolite from Ampelomyces sp. SC0307 and has antibacterial activity against Escherichia coli, Pseudomonas aeruginosa and Proteus vulgaris.
Last Modified21 September 2012
DownloadsMolfile
FormulaC8H10O4S
Net Charge0
Average Mass202.231
Monoisotopic Mass202.02998
SMILESCS(=O)c1cc(O)cc(CO)c1O
InChIInChI=1S/C8H10O4S/c1-13(12)7-3-6(10)2-5(4-9)8(7)11/h2-3,9-11H,4H2,1H3
InChIKeyNADRVFUNXRGAII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ampelomyces (ncbitaxon:50729) - PubMed (18603789) Strain: SC0307
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol (CHEBI:65779) has role antibacterial agent (CHEBI:33282)
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol (CHEBI:65779) has role metabolite (CHEBI:25212)
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol (CHEBI:65779) is a benzyl alcohols (CHEBI:22743)
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol (CHEBI:65779) is a hydroquinones (CHEBI:24646)
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol (CHEBI:65779) is a sulfoxide (CHEBI:22063)
IUPAC Name 
2-(hydroxymethyl)-6-(methylsulfinyl)benzene-1,4-diol
Registry NumbersSources
Reaxys:18590032Reaxys
Citations