Aspetritone B (CHEBI:213053)

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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	Aspetritone B

ChEBI ID	CHEBI:213053

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O7

Net Charge

Average Mass

334.324

Monoisotopic Mass

334.10525

InChI

InChI=1S/C17H18O7/c1-17(22)6-9-7(5-11(17)18)13(19)8-4-10(23-2)16(24-3)15(21)12(8)14(9)20/h4,11,18,21-22H,5-6H2,1-3H3/t11-,17+/m1/s1

InChIKey

DUWJNAVRXVQDKB-DIFFPNOSSA-N

SMILES

O=C1C2=C(O)C(OC)=C(OC)C=C2C(=O)C3=C1C[C@@](O)(C)[C@@H](C3)O

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	Aspetritone B (CHEBI:213053) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name

(2R,3S)-2,3,5-trihydroxy-6,7-dimethoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione