(S)-5'-oxoaverantin (CHEBI:71649)

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ChEBI Name	(S)-5'-oxoaverantin

ChEBI ID	CHEBI:71649

ChEBI ASCII Name	(S)-5'-oxoaverantin

Definition	A hydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxy-5-oxohexyl substituent at position 2 (the S-enantiomer).

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

Submitter	KAX

Supplier Information

Download	Molfile XML SDF

Formula

C20H18O8

Net Charge

Average Mass

386.35210

Monoisotopic Mass

386.10017

InChI

InChI=1S/C20H18O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-7,12,22-25,28H,2-4H2,1H3/t12-/m0/s1

InChIKey

JJDSVOQKAOJVOK-LBPRGKRZSA-N

SMILES

CC(=O)CCC[C@H](O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	(S)-5'-oxoaverantin (CHEBI:71649) has role metabolite (CHEBI:25212) (S)-5'-oxoaverantin (CHEBI:71649) is a methyl ketone (CHEBI:51867) (S)-5'-oxoaverantin (CHEBI:71649) is a polyketide (CHEBI:26188) (S)-5'-oxoaverantin (CHEBI:71649) is a polyphenol (CHEBI:26195) (S)-5'-oxoaverantin (CHEBI:71649) is a tetrahydroxyanthraquinone (CHEBI:37496) (S)-5'-oxoaverantin (CHEBI:71649) is conjugate acid of (S)-5'-oxoaverantin(1−) (CHEBI:77933)

Incoming	(S)-5'-oxoaverantin(1−) (CHEBI:77933) is conjugate base of (S)-5'-oxoaverantin (CHEBI:71649)

IUPAC Name

1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]-9,10-anthraquinone

Registry Number	Type	Source
15827980	Reaxys Registry Number	Reaxys

Citation	Type	Source
15022028	PubMed citation	SUBMITTER

Last Modified

14 June 2016