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CHEBI:68228 - sydowinin B

ChEBI IDCHEBI:68228
ChEBI Namesydowinin B
Stars
DefinitionA member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy group at positions 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii.
Last Modified25 February 2016
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESCOC(=O)c1c(O)ccc2oc3cc(CO)cc(O)c3c(=O)c12
InChIInChI=1S/C16H12O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,17-19H,6H2,1H3
InChIKeySSBSKLSIZKVBFF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (21718031) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. Strain: PSU F154
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
sydowinin B (CHEBI:68228) has role Aspergillus metabolite (CHEBI:76956)
sydowinin B (CHEBI:68228) is a aromatic ester (CHEBI:62732)
sydowinin B (CHEBI:68228) is a polyphenol (CHEBI:26195)
sydowinin B (CHEBI:68228) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthene-1-carboxylate
Manual XrefsDatabases
LSM-4927LINCS
Registry NumbersSources
Reaxys:1438663Reaxys
Citations