Paramagnetoquinone B (CHEBI:206870)

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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	Paramagnetoquinone B

ChEBI ID	CHEBI:206870

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H12O9

Net Charge

Average Mass

420.329

Monoisotopic Mass

420.04813

InChI

InChI=1S/C22H12O9/c1-29-12-4-9-14(10-6-31-22(28)16(10)12)20(26)17-8(18(9)24)3-7-15(21(17)27)11(23)5-13(30-2)19(7)25/h3-5,27H,6H2,1-2H3

InChIKey

UDULZYKMOSINQA-UHFFFAOYSA-N

SMILES

O=C1C2=C(O)C=3C(=O)C=C(OC)C(C3C=C2C(=O)C4=C1C5=C(C(=O)OC5)C(=C4)OC)=O

Metabolite of Species	Details
Actinoallomurusspecies (NCBI:txid1872127)	See: PubMed

ChEBI Ontology
Outgoing	Paramagnetoquinone B (CHEBI:206870) is a quinone (CHEBI:36141) Paramagnetoquinone B (CHEBI:206870) is a tetracenes (CHEBI:51270)

IUPAC Name

21-hydroxy-9,17-dimethoxy-6-oxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),3,8,10,14,17,20-heptaene-2,7,12,16,19-pentone