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CHEBI:67535 - 4''-deoxyterphenyllin

Default Structure
ChEBI IDCHEBI:67535
ChEBI Name4''-deoxyterphenyllin
Stars
DefinitionA para-terphenyl that is the 4''-deoxy derivative of terphenyllin. It has been isolated from Aspergillus taichungensis.
Last Modified10 October 2013
DownloadsMolfile
FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCOc1cc(-c2ccccc2)c(OC)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C20H18O4/c1-23-17-12-16(13-6-4-3-5-7-13)20(24-2)19(22)18(17)14-8-10-15(21)11-9-14/h3-12,21-22H,1-2H3
InChIKeyLVUGIAPKIURDNR-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)
4''-deoxyterphenyllin (CHEBI:67535) has functional parent terphenyllin (CHEBI:67537)
4''-deoxyterphenyllin (CHEBI:67535) has role Aspergillus metabolite (CHEBI:76956)
4''-deoxyterphenyllin (CHEBI:67535) is a para-terphenyl (CHEBI:75874)
4''-deoxyterphenyllin (CHEBI:67535) is a dimethoxybenzene (CHEBI:51681)
4''-deoxyterphenyllin (CHEBI:67535) is a phenols (CHEBI:33853)
IUPAC Name 
3',6'-dimethoxy-1,1':4',1''-terphenyl-2',4-diol
Registry NumbersSources
Reaxys:2477683Reaxys
Citations