EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67538 - 3,3''-dihydroxyterphenyllin

ChEBI IDCHEBI:67538
ChEBI Name3,3''-dihydroxyterphenyllin
Stars
DefinitionA para-terphenyl that is the 3,3''-dihydroxy derivative of terphenyllin. It has been isolated from Aspergillus taichungensis.
Last Modified13 January 2014
DownloadsMolfile
FormulaC20H18O7
Net Charge0
Average Mass370.357
Monoisotopic Mass370.10525
SMILESCOc1cc(-c2ccc(O)c(O)c2)c(OC)c(O)c1-c1ccc(O)c(O)c1
InChIInChI=1S/C20H18O7/c1-26-17-9-12(10-3-5-13(21)15(23)7-10)20(27-2)19(25)18(17)11-4-6-14(22)16(24)8-11/h3-9,21-25H,1-2H3
InChIKeyVXSPWGWNHZICJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus taichungensis (ncbitaxon:482145) mycelium (BTO:0001436) PubMed (21486068) EtOAc extract of fungal strain was isolated from root soil of Acrostichum aureum (mangrove plant) Strain: ZHN 7-07
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
3,3''-dihydroxyterphenyllin (CHEBI:67538) has functional parent terphenyllin (CHEBI:67537)
3,3''-dihydroxyterphenyllin (CHEBI:67538) has role Aspergillus metabolite (CHEBI:76956)
3,3''-dihydroxyterphenyllin (CHEBI:67538) is a para-terphenyl (CHEBI:75874)
3,3''-dihydroxyterphenyllin (CHEBI:67538) is a catechols (CHEBI:33566)
3,3''-dihydroxyterphenyllin (CHEBI:67538) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
3',6'-dimethoxy-1,1':4',1''-terphenyl-2',3,3'',4,4''-pentol
Registry NumbersSources
Reaxys:6987224Reaxys
Citations