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CHEBI:67537 - terphenyllin

ChEBI IDCHEBI:67537
ChEBI Nameterphenyllin
Stars
DefinitionA para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6' and hydroxy groups at positions 2', 4 and 4''. It has been isolated from Aspergillus taichungensis.
Last Modified13 January 2014
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C20H18O5/c1-24-17-11-16(12-3-7-14(21)8-4-12)20(25-2)19(23)18(17)13-5-9-15(22)10-6-13/h3-11,21-23H,1-2H3
InChIKeyYNEMPXKRLPZFAX-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 Roles:
mycotoxin  Poisonous substance produced by fungi.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
terphenyllin (CHEBI:67537) has role Aspergillus metabolite (CHEBI:76956)
terphenyllin (CHEBI:67537) has role mycotoxin (CHEBI:25442)
terphenyllin (CHEBI:67537) is a para-terphenyl (CHEBI:75874)
terphenyllin (CHEBI:67537) is a dimethoxybenzene (CHEBI:51681)
terphenyllin (CHEBI:67537) is a phenols (CHEBI:33853)
Incoming Relation(s)
3-hydroxy-6'-O-desmethylterphenyllin (CHEBI:67400) has functional parent terphenyllin (CHEBI:67537)
3-hydroxyterphenyllin (CHEBI:67536) has functional parent terphenyllin (CHEBI:67537)
3,3''-dihydroxy-6'-O-desmethylterphenyllin (CHEBI:67401) has functional parent terphenyllin (CHEBI:67537)
3,3''-dihydroxyterphenyllin (CHEBI:67538) has functional parent terphenyllin (CHEBI:67537)
4''-deoxyterphenyllin (CHEBI:67535) has functional parent terphenyllin (CHEBI:67537)
6'-O-desmethylterphenyllin (CHEBI:67399) has functional parent terphenyllin (CHEBI:67537)
IUPAC Name 
3',6'-dimethoxy-1,1':4',1''-terphenyl-2',4,4''-triol
Registry NumbersSources
Reaxys:2013472Reaxys
CAS:52452-60-5ChemIDplus
Citations