EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:71537 - (1'S,5'S)-averufin

ChEBI IDCHEBI:71537
ChEBI Name(1'S,5'S)-averufin
Stars
ASCII Name(1'S,5'S)-averufin
DefinitionAn organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione substituted at position 2 by a methyl group and at positions 7, 9 and 11 by hydroxy groups (the S,S-diastereomer)
Last Modified5 August 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILES[H][C@]12CCC[C@](C)(Oc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4=O)O2
InChIInChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1
InChIKeyRYFFZJHGQCKWMV-YUNKPMOVSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
(1'S,5'S)-averufin (CHEBI:71537) has role fungal metabolite (CHEBI:76946)
(1'S,5'S)-averufin (CHEBI:71537) is a cyclic ketal (CHEBI:59779)
(1'S,5'S)-averufin (CHEBI:71537) is a organic heteropentacyclic compound (CHEBI:38164)
(1'S,5'S)-averufin (CHEBI:71537) is a polyketide (CHEBI:26188)
(1'S,5'S)-averufin (CHEBI:71537) is a polyphenol (CHEBI:26195)
IUPAC Name 
(2S,6S)-7,9,11-trihydroxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione
UniProt Name  Source
(1'S,5'S)-averufinUniProt
Manual XrefsDatabases
CPD-10167MetaCyc
Registry NumbersSources
Reaxys:5310443Reaxys
CAS:14016-29-6ChemIDplus
Citations