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

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ChEBI Name	(1'S,5'S)-averufin

ChEBI ID	CHEBI:71537

ChEBI ASCII Name	(1'S,5'S)-averufin

Definition	An 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)

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	KAX

Supplier Information

Download	Molfile XML SDF

Formula

C20H16O7

Net Charge

Average Mass

368.33680

Monoisotopic Mass

368.08960

InChI

InChI=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

InChIKey

RYFFZJHGQCKWMV-YUNKPMOVSA-N

SMILES

[H][C@]12CCC[C@](C)(Oc3cc4C(=O)c5cc(O)cc(O)c5C(=O)c4c(O)c13)O2

Roles Classification
Biological Role(s):	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	(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

Synonym	Source
(1'S,5'S)-averufin	UniProt

Last Modified

05 August 2014