6,1′-O,O-dimethylaverantin (CHEBI:201631)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	6,1′-O,O-dimethylaverantin

ChEBI ID	CHEBI:201631

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H24O7

Net Charge

Average Mass

400.427

Monoisotopic Mass

400.15220

InChI

InChI=1S/C22H24O7/c1-4-5-6-7-16(29-3)19-15(24)10-13-18(22(19)27)21(26)17-12(20(13)25)8-11(28-2)9-14(17)23/h8-10,16,23-24,27H,4-7H2,1-3H3/t16-/m0/s1

InChIKey

KXEYRABENKSUQJ-INIZCTEOSA-N

SMILES

O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC)C3)[C@@H](OC)CCCCC

Metabolite of Species	Details
Aspergillusspecies SCSIO F063 (NCBI:txid1166486)	See: PubMed

ChEBI Ontology
Outgoing	6,1′-O,O-dimethylaverantin (CHEBI:201631) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name

1,3,8-trihydroxy-6-methoxy-2-[(1S)-1-methoxyhexyl]anthracene-9,10-dione