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CHEBI:133758 - fonsecinone B

ChEBI IDCHEBI:133758
ChEBI Namefonsecinone B
Stars
DefinitionA dimeric naphthopyran with formula C32H28O11, originally isolated from Aspergillus niger.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC32H28O11
Net Charge0
Average Mass588.565
Monoisotopic Mass588.16316
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)OC(C)(O)CC3=O
InChIInChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3
InChIKeyAMDZXTMMLFPGSD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (21176790) Strain: ATCC 11414
Aspergillus fonsecaeus- DOI (10.1016/S0040-4020(01)88792-5) Strain: NRRL67
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
fonsecinone B (CHEBI:133758) has role Aspergillus metabolite (CHEBI:76956)
fonsecinone B (CHEBI:133758) is a aromatic ether (CHEBI:35618)
fonsecinone B (CHEBI:133758) is a aromatic ketone (CHEBI:76224)
fonsecinone B (CHEBI:133758) is a biaryl (CHEBI:64459)
fonsecinone B (CHEBI:133758) is a cyclic hemiketal (CHEBI:59780)
fonsecinone B (CHEBI:133758) is a cyclic ketone (CHEBI:3992)
fonsecinone B (CHEBI:133758) is a naphtho-γ-pyrone (CHEBI:64542)
fonsecinone B (CHEBI:133758) is a polyphenol (CHEBI:26195)
IUPAC Name 
2',5,5'-trihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2',3'-dihydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione
Manual XrefsDatabases
HMDB0033768HMDB
Registry NumbersSources
Reaxys:5209919Reaxys
CAS:95152-76-4HMDB
Citations